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

Systemtic Name: N-[2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[2-(azepan-1-yl)-2-oxo-ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide CAS Name: N-[2-[1-[2-(1-azepanyl)-2-oxoethyl]-2-benzimidazolyl]ethyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide Traditional Name: N-[2-[1-[2-(azepan-1-yl)-2-keto-ethyl]benzimidazol-2-yl]ethyl]nicotinamide Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2CCNC(=O)C4=CN=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2CCNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H27N5O2/c29-22(27-14-5-1-2-6-15-27)17-28-20-10-4-3-9-19(20)26-21(28)11-13-25-23(30)18-8-7-12-24-16-18/h3-4,7-10,12,16H,1-2,5-6,11,13-15,17H2,(H,25,30)