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

Systemtic Name: 4-oxidanylidene-N-pyridin-4-yl-2,3,5a,6-tetrahydro-1H-azepino[1,2-a]benzimidazole-5-carboxamide Openeye Name: 4-oxo-N-(4-pyridyl)-2,3,5a,6-tetrahydro-1H-azepino[1,2-a]benzimidazole-5-carboxamide CAS Name: 4-oxo-N-pyridin-4-yl-2,3,5a,6-tetrahydro-1H-azepino[1,2-a]benzimidazole-5-carboxamide IUPAC Name: 4-oxo-N-pyridin-4-yl-2,3,5a,6-tetrahydro-1H-azepino[1,2-a]benzimidazole-5-carboxamide Traditional Name: 4-keto-N-(4-pyridyl)-2,3,5a,6-tetrahydro-1H-azepino[1,2-a]benzimidazole-5-carboxamide Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)N(C3N2C=CC=CC3)C(=O)NC4=CC=NC=C4

Isomeric SMILES

C1CC2=C(C(=O)C1)N(C3N2C=CC=CC3)C(=O)NC4=CC=NC=C4

InChI

InChI=1S/C18H18N4O2/c23-15-6-4-5-14-17(15)22(16-7-2-1-3-12-21(14)16)18(24)20-13-8-10-19-11-9-13/h1-3,8-12,16H,4-7H2,(H,19,20,24)