2-[6-[4-(phenylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[6-[4-(phenylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[6-[4-(phenylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[6-(4-benzyl-1,4-diazepan-1-yl)pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C25H26N6O MolecularWeight: 426.51354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N6O/c26-24(32)20-8-4-9-21-23(20)29-25(28-21)19-10-11-22(27-16-19)31-13-5-12-30(14-15-31)17-18-6-2-1-3-7-18/h1-4,6-11,16H,5,12-15,17H2,(H2,26,32)(H,28,29)