4-[[3-(1,3-benzodioxol-5-yl)-1-methyl-2-oxidanylidene-benzimidazol-5-yl]-(3-methylimidazol-4-yl)-oxidanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-methyl-2-oxidanylidene-benzimidazol-5-yl]-(3-methylimidazol-4-yl)-oxidanyl-methyl]benzenecarbonitrile Openeye Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-benzimidazol-5-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-5-benzimidazolyl]-hydroxy-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-methyl-2-oxobenzimidazol-5-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[[3-(1,3-benzodioxol-5-yl)-2-keto-1-methyl-benzimidazol-5-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C27H21N5O4 MolecularWeight: 479.48674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=C(C=C3)N(C(=O)N4C5=CC6=C(C=C5)OCO6)C)O

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=C(C=C3)N(C(=O)N4C5=CC6=C(C=C5)OCO6)C)O

InChI

InChI=1S/C27H21N5O4/c1-30-15-29-14-25(30)27(34,18-5-3-17(13-28)4-6-18)19-7-9-21-22(11-19)32(26(33)31(21)2)20-8-10-23-24(12-20)36-16-35-23/h3-12,14-15,34H,16H2,1-2H3