2-(1,4-diazepan-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-(1,4-diazepan-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-(1,4-diazepan-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]pyridine-3-carboxamide CAS Name: 2-(1,4-diazepan-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-(1,4-diazepan-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-(1,4-diazepan-1-yl)-N-o-veratryl-nicotinamide Formula: C20H26N4O3 MolecularWeight: 370.44544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=O)C2=C(N=CC=C2)N3CCCNCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=O)C2=C(N=CC=C2)N3CCCNCC3

InChI

InChI=1S/C20H26N4O3/c1-26-17-8-3-6-15(18(17)27-2)14-23-20(25)16-7-4-10-22-19(16)24-12-5-9-21-11-13-24/h3-4,6-8,10,21H,5,9,11-14H2,1-2H3,(H,23,25)