1-(3H-benzimidazol-5-yl)-3-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-oxidanylidene-benzimidazole-5-carbonitrile

Systemtic Name: 1-(3H-benzimidazol-5-yl)-3-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 1-(3H-benzimidazol-5-yl)-3-[(3-chloro-4-methoxy-phenyl)methyl]-2-oxo-benzimidazole-5-carbonitrile CAS Name: 1-(3H-benzimidazol-5-yl)-3-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 1-(3H-benzimidazol-5-yl)-3-[(3-chloro-4-methoxyphenyl)methyl]-2-oxobenzimidazole-5-carbonitrile Traditional Name: 1-(3H-benzimidazol-5-yl)-3-(3-chloro-4-methoxy-benzyl)-2-keto-benzimidazole-5-carbonitrile Formula: C23H16ClN5O2 MolecularWeight: 429.85844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4=CC5=C(C=C4)N=CN5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4=CC5=C(C=C4)N=CN5)Cl

InChI

InChI=1S/C23H16ClN5O2/c1-31-22-7-3-15(8-17(22)24)12-28-21-9-14(11-25)2-6-20(21)29(23(28)30)16-4-5-18-19(10-16)27-13-26-18/h2-10,13H,12H2,1H3,(H,26,27)