2-[4-[2-(4-cyanophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[4-[2-(4-cyanophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[4-[2-(4-cyanophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[4-[2-(4-cyanophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[4-[2-(4-cyanophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[4-[2-(4-cyanophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole-4-carboxamide Formula: C22H24N6O MolecularWeight: 388.46556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC3=C(C=CC=C3N2)C(=O)N)CCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C2=NC3=C(C=CC=C3N2)C(=O)N)CCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H24N6O/c23-15-17-7-5-16(6-8-17)9-12-27-10-2-11-28(14-13-27)22-25-19-4-1-3-18(21(24)29)20(19)26-22/h1,3-8H,2,9-14H2,(H2,24,29)(H,25,26)