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

Systemtic Name: 1-(4-azanylpyrrolidin-2-yl)carbonyl-4-[(2-oxidanyl-4-phenyl-butyl)amino]-N-quinolin-3-yl-pyrrolidine-2-carboxamide trihydrochloride Openeye Name: 1-(4-aminopyrrolidine-2-carbonyl)-4-[(2-hydroxy-4-phenyl-butyl)amino]-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride CAS Name: 1-[(4-amino-2-pyrrolidinyl)-oxomethyl]-4-[(2-hydroxy-4-phenylbutyl)amino]-N-(3-quinolinyl)-2-pyrrolidinecarboxamide trihydrochloride IUPAC Name: 1-(4-aminopyrrolidine-2-carbonyl)-4-[(2-hydroxy-4-phenylbutyl)amino]-N-quinolin-3-ylpyrrolidine-2-carboxamide trihydrochloride Traditional Name: 1-(4-aminoprolyl)-4-[(2-hydroxy-4-phenyl-butyl)amino]-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride Formula: C29H39Cl3N6O3 MolecularWeight: 626.01736

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)N2CC(CC2C(=O)NC3=CC4=CC=CC=C4N=C3)NCC(CCC5=CC=CC=C5)O)N.Cl.Cl.Cl

Isomeric SMILES

C1C(CNC1C(=O)N2CC(CC2C(=O)NC3=CC4=CC=CC=C4N=C3)NCC(CCC5=CC=CC=C5)O)N.Cl.Cl.Cl

InChI

InChI=1S/C29H36N6O3.3ClH/c30-21-13-26(32-15-21)29(38)35-18-23(31-17-24(36)11-10-19-6-2-1-3-7-19)14-27(35)28(37)34-22-12-20-8-4-5-9-25(20)33-16-22;;;/h1-9,12,16,21,23-24,26-27,31-32,36H,10-11,13-15,17-18,30H2,(H,34,37);3*1H