N-(2-cyanoethyl)-2-[2-(4-cyanophenyl)ethyl]-1-methyl-N-(quinolin-3-ylmethyl)benzimidazole-5-carboxamide

Systemtic Name: N-(2-cyanoethyl)-2-[2-(4-cyanophenyl)ethyl]-1-methyl-N-(quinolin-3-ylmethyl)benzimidazole-5-carboxamide Openeye Name: N-(2-cyanoethyl)-2-[2-(4-cyanophenyl)ethyl]-1-methyl-N-(3-quinolylmethyl)benzimidazole-5-carboxamide CAS Name: N-(2-cyanoethyl)-2-[2-(4-cyanophenyl)ethyl]-1-methyl-N-(3-quinolinylmethyl)-5-benzimidazolecarboxamide IUPAC Name: N-(2-cyanoethyl)-2-[2-(4-cyanophenyl)ethyl]-1-methyl-N-(quinolin-3-ylmethyl)benzimidazole-5-carboxamide Traditional Name: N-(2-cyanoethyl)-2-[2-(4-cyanophenyl)ethyl]-1-methyl-N-(3-quinolylmethyl)benzimidazole-5-carboxamide Formula: C31H26N6O MolecularWeight: 498.57774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC#N)CC3=CC4=CC=CC=C4N=C3)N=C1CCC5=CC=C(C=C5)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC#N)CC3=CC4=CC=CC=C4N=C3)N=C1CCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H26N6O/c1-36-29-13-12-26(18-28(29)35-30(36)14-11-22-7-9-23(19-33)10-8-22)31(38)37(16-4-15-32)21-24-17-25-5-2-3-6-27(25)34-20-24/h2-3,5-10,12-13,17-18,20H,4,11,14,16,21H2,1H3