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

Systemtic Name: ethanedioic acid; 1-hexyl-6-[3-(4-phenylpiperazin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one Openeye Name: 1-hexyl-6-[3-(4-phenylpiperazin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one; oxalic acid CAS Name: 1-hexyl-6-[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]-3,4-dihydroquinolin-2-one; oxalic acid IUPAC Name: 1-hexyl-6-[3-(4-phenylpiperazin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one; oxalic acid Traditional Name: 1-hexyl-6-[3-(4-phenylpiperazino)propanoyl]-3,4-dihydrocarbostyril; oxalic acid Formula: C30H39N3O6 MolecularWeight: 537.64716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)CCC2=C1C=CC(=C2)C(=O)CCN3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCN1C(=O)CCC2=C1C=CC(=C2)C(=O)CCN3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H37N3O2.C2H2O4/c1-2-3-4-8-16-31-26-13-11-24(22-23(26)12-14-28(31)33)27(32)15-17-29-18-20-30(21-19-29)25-9-6-5-7-10-25;3-1(4)2(5)6/h5-7,9-11,13,22H,2-4,8,12,14-21H2,1H3;(H,3,4)(H,5,6)