1,5-dimethyl-N-[N-(3-methylphenyl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]pyrazole-3-carboxamide

Systemtic Name: 1,5-dimethyl-N-[N-(3-methylphenyl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]pyrazole-3-carboxamide Openeye Name: 1,5-dimethyl-N-[N-(m-tolyl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]pyrazole-3-carboxamide CAS Name: 1,5-dimethyl-N-[(3-methylanilino)-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-3-pyrazolecarboxamide IUPAC Name: 1,5-dimethyl-N-[N-(3-methylphenyl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]pyrazole-3-carboxamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(m-tolyl)amidino]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C26H35N7O3 MolecularWeight: 493.6012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N7O3/c1-18-9-8-10-20(15-18)27-26(29-24(35)22-16-19(2)31(3)30-22)28-21-11-4-5-14-33(25(21)36)17-23(34)32-12-6-7-13-32/h8-10,15-16,21H,4-7,11-14,17H2,1-3H3,(H2,27,28,29,35)