ethanedioic acid; N-(2-ethyl-3-methyl-quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamide

Systemtic Name: ethanedioic acid; N-(2-ethyl-3-methyl-quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamide Openeye Name: N-(2-ethyl-3-methyl-4-quinolyl)-2-(4-phenylpiperazin-1-yl)acetamide; oxalic acid CAS Name: N-(2-ethyl-3-methyl-4-quinolinyl)-2-(4-phenyl-1-piperazinyl)acetamide; oxalic acid IUPAC Name: N-(2-ethyl-3-methylquinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide; oxalic acid Traditional Name: N-(2-ethyl-3-methyl-4-quinolyl)-2-(4-phenylpiperazino)acetamide; oxalic acid Formula: C28H32N4O9 MolecularWeight: 568.57508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)CN3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)CN3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H28N4O.2C2H2O4/c1-3-21-18(2)24(20-11-7-8-12-22(20)25-21)26-23(29)17-27-13-15-28(16-14-27)19-9-5-4-6-10-19;2*3-1(4)2(5)6/h4-12H,3,13-17H2,1-2H3,(H,25,26,29);2*(H,3,4)(H,5,6)