2-oxidanylpropane-1,2,3-tricarboxylic acid; 6-[4-(3-phenyl-3-pyrrolidin-1-yl-propyl)piperazin-1-yl]carbonyl-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 6-[4-(3-phenyl-3-pyrrolidin-1-yl-propyl)piperazin-1-yl]carbonyl-3,4-dihydro-1H-quinolin-2-one Openeye Name: citric acid; 6-[4-(3-phenyl-3-pyrrolidin-1-yl-propyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 6-[oxo-[4-[3-phenyl-3-(1-pyrrolidinyl)propyl]-1-piperazinyl]methyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 6-[4-(3-phenyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one Traditional Name: citric acid; 6-[4-(3-phenyl-3-pyrrolidino-propyl)piperazine-1-carbonyl]-3,4-dihydrocarbostyril Formula: C39H50N4O16 MolecularWeight: 830.8315

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CCN2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=O)CC4)C5=CC=CC=C5.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

C1CCN(C1)C(CCN2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=O)CC4)C5=CC=CC=C5.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/C27H34N4O2.2C6H8O7/c32-26-11-9-22-20-23(8-10-24(22)28-26)27(33)31-18-16-29(17-19-31)15-12-25(30-13-4-5-14-30)21-6-2-1-3-7-21;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h1-3,6-8,10,20,25H,4-5,9,11-19H2,(H,28,32);2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)