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

Systemtic Name: ethanedioic acid; 1-methyl-6-[3-(4-phenylpiperazin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one Openeye Name: 1-methyl-6-[3-(4-phenylpiperazin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one; oxalic acid CAS Name: 1-methyl-6-[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]-3,4-dihydroquinolin-2-one; oxalic acid IUPAC Name: 1-methyl-6-[3-(4-phenylpiperazin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one; oxalic acid Traditional Name: 1-methyl-6-[3-(4-phenylpiperazino)propanoyl]-3,4-dihydrocarbostyril; oxalic acid Formula: C25H29N3O6 MolecularWeight: 467.51426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCC2=C1C=CC(=C2)C(=O)CCN3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=O)CCC2=C1C=CC(=C2)C(=O)CCN3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H27N3O2.C2H2O4/c1-24-21-9-7-19(17-18(21)8-10-23(24)28)22(27)11-12-25-13-15-26(16-14-25)20-5-3-2-4-6-20;3-1(4)2(5)6/h2-7,9,17H,8,10-16H2,1H3;(H,3,4)(H,5,6)