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

Systemtic Name: 6-[4-(4-oxidanylidene-4-phenyl-butyl)piperazin-1-yl]carbonyl-3,4-dihydro-1H-quinolin-2-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 6-[4-(4-oxo-4-phenyl-butyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 6-[oxo-[4-(4-oxo-4-phenylbutyl)-1-piperazinyl]methyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 6-[4-(4-oxo-4-phenylbutyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one Traditional Name: citric acid; 6-[4-(4-keto-4-phenyl-butyl)piperazine-1-carbonyl]-3,4-dihydrocarbostyril Formula: C30H35N3O10 MolecularWeight: 597.613

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)CCCC(=O)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)CCCC(=O)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C24H27N3O3.C6H8O7/c28-22(18-5-2-1-3-6-18)7-4-12-26-13-15-27(16-14-26)24(30)20-8-10-21-19(17-20)9-11-23(29)25-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-3,5-6,8,10,17H,4,7,9,11-16H2,(H,25,29);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)