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

Systemtic Name: 4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-1-piperazin-2-ylcarbonyl-N-quinolin-3-yl-pyrrolidine-2-carboxamide trihydrochloride Openeye Name: 4-[(2-hydroxy-4-phenyl-butanoyl)amino]-1-(piperazine-2-carbonyl)-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride CAS Name: 4-[(2-hydroxy-1-oxo-4-phenylbutyl)amino]-1-[oxo(2-piperazinyl)methyl]-N-(3-quinolinyl)-2-pyrrolidinecarboxamide trihydrochloride IUPAC Name: 4-[(2-hydroxy-4-phenylbutanoyl)amino]-1-(piperazine-2-carbonyl)-N-quinolin-3-ylpyrrolidine-2-carboxamide trihydrochloride Traditional Name: 4-[(2-hydroxy-4-phenyl-butanoyl)amino]-1-(piperazine-2-carbonyl)-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride Formula: C29H37Cl3N6O4 MolecularWeight: 640.00088

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CN1)C(=O)N2CC(CC2C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)C(CCC5=CC=CC=C5)O.Cl.Cl.Cl

Isomeric SMILES

C1CNC(CN1)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/C29H34N6O4.3ClH/c36-26(11-10-19-6-2-1-3-7-19)28(38)34-22-15-25(35(18-22)29(39)24-17-30-12-13-31-24)27(37)33-21-14-20-8-4-5-9-23(20)32-16-21;;;/h1-9,14,16,22,24-26,30-31,36H,10-13,15,17-18H2,(H,33,37)(H,34,38);3*1H