ethanedioic acid; N-(2-ethyl-3-methyl-quinolin-4-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: ethanedioic acid; N-(2-ethyl-3-methyl-quinolin-4-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(2-ethyl-3-methyl-4-quinolyl)acetamide; oxalic acid CAS Name: N-(2-ethyl-3-methyl-4-quinolinyl)-2-[4-(phenylmethyl)-1-piperazinyl]acetamide; oxalic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(2-ethyl-3-methylquinolin-4-yl)acetamide; oxalic acid Traditional Name: 2-(4-benzylpiperazino)-N-(2-ethyl-3-methyl-4-quinolyl)acetamide; oxalic acid Formula: C29H34N4O9 MolecularWeight: 582.60166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)CN3CCN(CC3)CC4=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)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H30N4O.2C2H2O4/c1-3-22-19(2)25(21-11-7-8-12-23(21)26-22)27-24(30)18-29-15-13-28(14-16-29)17-20-9-5-4-6-10-20;2*3-1(4)2(5)6/h4-12H,3,13-18H2,1-2H3,(H,26,27,30);2*(H,3,4)(H,5,6)