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

Systemtic Name: 4-[[3-[(3-chlorophenyl)methyl]-1-methyl-2-oxidanylidene-benzimidazol-5-yl]-(3-methylimidazol-4-yl)-oxidanyl-methyl]benzenecarbonitrile Openeye Name: 4-[[3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-benzimidazol-5-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[[3-[(3-chlorophenyl)methyl]-1-methyl-2-oxo-5-benzimidazolyl]-hydroxy-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[[3-[(3-chlorophenyl)methyl]-1-methyl-2-oxobenzimidazol-5-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[[3-(3-chlorobenzyl)-2-keto-1-methyl-benzimidazol-5-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C27H22ClN5O2 MolecularWeight: 483.94888

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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)N4CC5=CC(=CC=C5)Cl)C)O

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=C(C=C3)N(C(=O)N4CC5=CC(=CC=C5)Cl)C)O

InChI

InChI=1S/C27H22ClN5O2/c1-31-17-30-15-25(31)27(35,20-8-6-18(14-29)7-9-20)21-10-11-23-24(13-21)33(26(34)32(23)2)16-19-4-3-5-22(28)12-19/h3-13,15,17,35H,16H2,1-2H3