N-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[1-[2-(azepan-1-yl)-2-oxo-ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[1-[2-(1-azepanyl)-2-oxoethyl]-2-benzimidazolyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[1-[2-(azepan-1-yl)-2-keto-ethyl]benzimidazol-2-yl]methyl]nicotinamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2CNC(=O)C4=CN=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2CNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H25N5O2/c28-21(26-12-5-1-2-6-13-26)16-27-19-10-4-3-9-18(19)25-20(27)15-24-22(29)17-8-7-11-23-14-17/h3-4,7-11,14H,1-2,5-6,12-13,15-16H2,(H,24,29)