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

Systemtic Name: 1-[4-(aminomethyl)pyrrolidin-2-yl]carbonyl-4-[(2-oxidanyl-4-phenyl-butyl)amino]-N-quinolin-3-yl-pyrrolidine-2-carboxamide trihydrochloride Openeye Name: 1-[4-(aminomethyl)pyrrolidine-2-carbonyl]-4-[(2-hydroxy-4-phenyl-butyl)amino]-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride CAS Name: 1-[[4-(aminomethyl)-2-pyrrolidinyl]-oxomethyl]-4-[(2-hydroxy-4-phenylbutyl)amino]-N-(3-quinolinyl)-2-pyrrolidinecarboxamide trihydrochloride IUPAC Name: 1-[4-(aminomethyl)pyrrolidine-2-carbonyl]-4-[(2-hydroxy-4-phenylbutyl)amino]-N-quinolin-3-ylpyrrolidine-2-carboxamide trihydrochloride Traditional Name: 1-[4-(aminomethyl)prolyl]-4-[(2-hydroxy-4-phenyl-butyl)amino]-N-(3-quinolyl)pyrrolidine-2-carboxamide trihydrochloride Formula: C30H41Cl3N6O3 MolecularWeight: 640.04394

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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)CN.Cl.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C30H38N6O3.3ClH/c31-15-21-12-27(33-16-21)30(39)36-19-24(32-18-25(37)11-10-20-6-2-1-3-7-20)14-28(36)29(38)35-23-13-22-8-4-5-9-26(22)34-17-23;;;/h1-9,13,17,21,24-25,27-28,32-33,37H,10-12,14-16,18-19,31H2,(H,35,38);3*1H