1-[4-[3-(methylamino)-3-phenyl-propyl]piperazin-1-yl]carbonyl-3,4-dihydroquinolin-2-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 1-[4-[3-(methylamino)-3-phenyl-propyl]piperazin-1-yl]carbonyl-3,4-dihydroquinolin-2-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 1-[4-[3-(methylamino)-3-phenyl-propyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-[[4-[3-(methylamino)-3-phenylpropyl]-1-piperazinyl]-oxomethyl]-3,4-dihydroquinolin-2-one IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-[4-[3-(methylamino)-3-phenylpropyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one Traditional Name: citric acid; 1-[4-[3-(methylamino)-3-phenyl-propyl]piperazine-1-carbonyl]-3,4-dihydrocarbostyril Formula: C36H46N4O16 MolecularWeight: 790.76764

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CCN1CCN(CC1)C(=O)N2C(=O)CCC3=CC=CC=C32)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CNC(CCN1CCN(CC1)C(=O)N2C(=O)CCC3=CC=CC=C32)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C24H30N4O2.2C6H8O7/c1-25-21(19-7-3-2-4-8-19)13-14-26-15-17-27(18-16-26)24(30)28-22-10-6-5-9-20(22)11-12-23(28)29;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h2-10,21,25H,11-18H2,1H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)