1-(4-ethanimidoylpiperazin-2-yl)carbonyl-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-N-quinolin-3-yl-pyrrolidine-2-carboxamide trihydrochloride

Systemtic Name: 1-(4-ethanimidoylpiperazin-2-yl)carbonyl-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-N-quinolin-3-yl-pyrrolidine-2-carboxamide trihydrochloride Openeye Name: 1-(4-ethanimidoylpiperazine-2-carbonyl)-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride CAS Name: 4-[(2-hydroxy-1-oxo-4-phenylbutyl)amino]-1-[[4-(1-iminoethyl)-2-piperazinyl]-oxomethyl]-N-(3-quinolinyl)-2-pyrrolidinecarboxamide trihydrochloride IUPAC Name: 1-(4-ethanimidoylpiperazine-2-carbonyl)-4-[(2-hydroxy-4-phenylbutanoyl)amino]-N-quinolin-3-ylpyrrolidine-2-carboxamide trihydrochloride Traditional Name: 1-(4-acetimidoylpiperazine-2-carbonyl)-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride Formula: C31H40Cl3N7O4 MolecularWeight: 681.0528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCNC(C1)C(=O)N2CC(CC2C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)C(CCC5=CC=CC=C5)O.Cl.Cl.Cl

Isomeric SMILES

CC(=N)N1CCNC(C1)C(=O)N2CC(CC2C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)C(CCC5=CC=CC=C5)O.Cl.Cl.Cl

InChI

InChI=1S/C31H37N7O4.3ClH/c1-20(32)37-14-13-33-26(19-37)31(42)38-18-24(36-30(41)28(39)12-11-21-7-3-2-4-8-21)16-27(38)29(40)35-23-15-22-9-5-6-10-25(22)34-17-23;;;/h2-10,15,17,24,26-28,32-33,39H,11-14,16,18-19H2,1H3,(H,35,40)(H,36,41);3*1H