4-oxidanylidene-6-(phenylmethyl)-N-pyridin-4-yl-2,3,5a,6-tetrahydro-1H-azepino[1,2-a]benzimidazole-5-carboxamide

Systemtic Name: 4-oxidanylidene-6-(phenylmethyl)-N-pyridin-4-yl-2,3,5a,6-tetrahydro-1H-azepino[1,2-a]benzimidazole-5-carboxamide Openeye Name: 6-benzyl-4-oxo-N-(4-pyridyl)-2,3,5a,6-tetrahydro-1H-azepino[1,2-a]benzimidazole-5-carboxamide CAS Name: 4-oxo-6-(phenylmethyl)-N-pyridin-4-yl-2,3,5a,6-tetrahydro-1H-azepino[1,2-a]benzimidazole-5-carboxamide IUPAC Name: 6-benzyl-4-oxo-N-pyridin-4-yl-2,3,5a,6-tetrahydro-1H-azepino[1,2-a]benzimidazole-5-carboxamide Traditional Name: 6-benzyl-4-keto-N-(4-pyridyl)-2,3,5a,6-tetrahydro-1H-azepino[1,2-a]benzimidazole-5-carboxamide Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)N(C3N2C=CC=CC3CC4=CC=CC=C4)C(=O)NC5=CC=NC=C5

Isomeric SMILES

C1CC2=C(C(=O)C1)N(C3N2C=CC=CC3CC4=CC=CC=C4)C(=O)NC5=CC=NC=C5

InChI

InChI=1S/C25H24N4O2/c30-22-11-6-10-21-23(22)29(25(31)27-20-12-14-26-15-13-20)24-19(9-4-5-16-28(21)24)17-18-7-2-1-3-8-18/h1-5,7-9,12-16,19,24H,6,10-11,17H2,(H,26,27,31)