N-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide

Systemtic Name: N-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide Openeye Name: N-[[1-[2-(azepan-1-yl)-2-oxo-ethyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide CAS Name: N-[[1-[2-(1-azepanyl)-2-oxoethyl]-2-benzimidazolyl]methyl]-4-pyridinecarboxamide IUPAC Name: N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide Traditional Name: N-[[1-[2-(azepan-1-yl)-2-keto-ethyl]benzimidazol-2-yl]methyl]isonicotinamide Formula: C22H25N5O2 MolecularWeight: 391.4662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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