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

Systemtic Name: 2-(1,4-diazepan-1-yl)-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-(1,4-diazepan-1-yl)-N-[phenyl(2-pyridyl)methyl]pyridine-3-carboxamide CAS Name: 2-(1,4-diazepan-1-yl)-N-[phenyl(2-pyridinyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-(1,4-diazepan-1-yl)-N-[phenyl(pyridin-2-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-(1,4-diazepan-1-yl)-N-[phenyl(2-pyridyl)methyl]nicotinamide Formula: C23H25N5O MolecularWeight: 387.4775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=CC=N2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CNCCN(C1)C2=C(C=CC=N2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C23H25N5O/c29-23(19-10-6-14-26-22(19)28-16-7-12-24-15-17-28)27-21(18-8-2-1-3-9-18)20-11-4-5-13-25-20/h1-6,8-11,13-14,21,24H,7,12,15-17H2,(H,27,29)