N-[N-(3-methylphenyl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]pyridine-3-carboxamide

Systemtic Name: N-[N-(3-methylphenyl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]pyridine-3-carboxamide Openeye Name: N-[N-(m-tolyl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]pyridine-3-carboxamide CAS Name: N-[(3-methylanilino)-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-3-pyridinecarboxamide IUPAC Name: N-[N-(3-methylphenyl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]pyridine-3-carboxamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(m-tolyl)amidino]nicotinamide Formula: C26H32N6O3 MolecularWeight: 476.57068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H32N6O3/c1-19-8-6-10-21(16-19)28-26(30-24(34)20-9-7-12-27-17-20)29-22-11-2-3-15-32(25(22)35)18-23(33)31-13-4-5-14-31/h6-10,12,16-17,22H,2-5,11,13-15,18H2,1H3,(H2,28,29,30,34)