ethanedioic acid; 1-(phenylmethyl)-6-[3-(4-phenylpiperazin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one

Systemtic Name: ethanedioic acid; 1-(phenylmethyl)-6-[3-(4-phenylpiperazin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one Openeye Name: 1-benzyl-6-[3-(4-phenylpiperazin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one; oxalic acid CAS Name: oxalic acid; 6-[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]-1-(phenylmethyl)-3,4-dihydroquinolin-2-one IUPAC Name: 1-benzyl-6-[3-(4-phenylpiperazin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one; oxalic acid Traditional Name: 1-benzyl-6-[3-(4-phenylpiperazino)propanoyl]-3,4-dihydrocarbostyril; oxalic acid Formula: C31H33N3O6 MolecularWeight: 543.61022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C2=C1C=C(C=C2)C(=O)CCN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(=O)N(C2=C1C=C(C=C2)C(=O)CCN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H31N3O2.C2H2O4/c33-28(15-16-30-17-19-31(20-18-30)26-9-5-2-6-10-26)25-11-13-27-24(21-25)12-14-29(34)32(27)22-23-7-3-1-4-8-23;3-1(4)2(5)6/h1-11,13,21H,12,14-20,22H2;(H,3,4)(H,5,6)