2-[5-oxidanylidene-3-(phenylmethyl)azepan-1-yl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: 2-[5-oxidanylidene-3-(phenylmethyl)azepan-1-yl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: 2-(3-benzyl-5-oxo-azepan-1-yl)-N-(4-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[5-oxo-3-(phenylmethyl)-1-azepanyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide IUPAC Name: 2-(3-benzyl-5-oxoazepan-1-yl)-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: 2-(3-benzyl-5-keto-azepan-1-yl)-N-(4-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(CC1=O)CC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)NC5=CC=NC=C5

Isomeric SMILES

C1CN(CC(CC1=O)CC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)NC5=CC=NC=C5

InChI

InChI=1S/C26H25N5O2/c32-22-10-13-31(17-19(15-22)14-18-4-2-1-3-5-18)26-29-23-7-6-20(16-24(23)30-26)25(33)28-21-8-11-27-12-9-21/h1-9,11-12,16,19H,10,13-15,17H2,(H,29,30)(H,27,28,33)