itraconazole

Compound Identifiers & Properties

CAS

84625-61-6

PubChem CID

137309583

SMILES

[2H]C([2H])([2H])C([2H])([2H])C(C)N1C(=O)NC(=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

Canonical SMILES

[2H]C([2H])([2H])C([2H])([2H])C(C)n1nc(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)[nH]c1=O