Chemical Compound

4-[2-[5-(4-carbamoylphenyl)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-4,4-dimethyl-1,3-dihydroisoquinolin-1-yl]-2-oxoethyl]benzoic acid;(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1-[4,4-dimethyl-1-[2-(4-methylphenyl)acetyl]-5-(4-nitrophenyl)-1,3-dihydroisoquinolin-2-yl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-4,4-dimethyl-1-[2-(4-methylphenyl)acetyl]-1,3-dihydroisoquinolin-5-yl]-N-methylbenzamide

CAS Registry Number 8047-24-3
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4-[2-[5-(4-carbamoylphenyl)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-4,4-dimethyl-1,3-dihydroisoquinolin-1-yl]-2-oxoethyl]benzoic acid;(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1-[4,4-dimethyl-1-[2-(4-methylphenyl)acetyl]-5-(4-nitrophenyl)-1,3-dihydroisoquinolin-2-yl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-4,4-dimethyl-1-[2-(4-methylphenyl)acetyl]-1,3-dihydroisoquinolin-5-yl]-N-methylbenzamide 结构式
Primary record

4-[2-[5-(4-carbamoylphenyl)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-4,4-dimethyl-1,3-dihydroisoquinolin-1-yl]-2-oxoethyl]benzoic acid;(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1-[4,4-dimethyl-1-[2-(4-methylphenyl)acetyl]-5-(4-nitrophenyl)-1,3-dihydroisoquinolin-2-yl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-4,4-dimethyl-1-[2-(4-methylphenyl)acetyl]-1,3-dihydroisoquinolin-5-yl]-N-methylbenzamide

库存
3,360 克
纯度
99.2 %
CAS
8047-24-3

化合物标识与属性

CAS
8047-24-3
PubChem CID
168010193
SMILES
CC1=CC=C(C=C1)CC(=O)C2C3=CC=CC(=C3C(CN2C(=O)C=CC4=C(C=CC(=C4F)Cl)N5C=NN=N5)(C)C)C6=CC=C(C=C6)C(=O)NC.CC1=CC=C(C=C1)CC(=O)C2C3=CC=CC(=C3C(CN2C(=O)C=CC4=C(C=CC(=C4F)Cl)N5C=NN=N5)(C)C)C6=CC=C(C=C6)[N+](=O)[O-].CC1(CN(C(C2=CC=CC(=C21)C3=CC=C(C=C3)C(=O)N)C(=O)CC4=CC=C(C=C4)C(=O)O)C(=O)C=CC5=C(C=CC(=C5F)Cl)N6C=NN=N6)C
Canonical SMILES
CC1(C)CN(C(=O)C=Cc2c(-n3cnnn3)ccc(Cl)c2F)C(C(=O)Cc2ccc(C(=O)O)cc2)c2cccc(-c3ccc(C(N)=O)cc3)c21.CNC(=O)c1ccc(-c2cccc3c2C(C)(C)CN(C(=O)C=Cc2c(-n4cnnn4)ccc(Cl)c2F)C3C(=O)Cc2ccc(C)cc2)cc1.Cc1ccc(CC(=O)C2c3cccc(-c4ccc([N+](=O)[O-])cc4)c3C(C)(C)CN2C(=O)C=Cc2c(-n3cnnn3)ccc(Cl)c2F)cc1

名称与同义词

  • Vanilla tincture
  • Protovanol
  • Vanilla flavor
  • Vanilla resinoid
  • Vanilla Absolute
  • Vanilla bean oil
  • Vanilla, absolute
  • Vanilla, tincture
  • Vanilla bean oleoresin
  • RefChem:870048
  • Vanilla extract, ten-fold
  • MCRGBNHNSZXHEN-UHFFFAOYSA-N
  • DTXSID001029706
  • Vanilla extract (Vanilla fragrans)
  • EINECS 232-463-1
  • Vanilla oleoresin (Vanilla fragrans)
  • 8047-24-3
  • 232-463-1
  • 4-[2-[5-(4-carbamoylphenyl)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-4,4-dimethyl-1,3-dihydroisoquinolin-1-yl]-2-oxoethyl]benzoic acid;(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1-[4,4-dimethyl-1-[2-(4-methylphenyl)acetyl]-5-(4-nitrophenyl)-1,3-dihydroisoquinolin-2-yl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-4,4-dimethyl-1-[2-(4-methylphenyl)acetyl]-1,3-dihydroisoquinolin-5-yl]-N-methylbenzamide