ethanedioic acid; 2-(4-methylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)ethanamide

Systemtic Name: ethanedioic acid; 2-(4-methylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)ethanamide Openeye Name: 2-(4-methylpiperazin-1-yl)-N-(2-methyl-4-quinolyl)acetamide; oxalic acid CAS Name: 2-(4-methyl-1-piperazinyl)-N-(2-methyl-4-quinolinyl)acetamide; oxalic acid IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide; oxalic acid Traditional Name: 2-(4-methylpiperazino)-N-(2-methyl-4-quinolyl)acetamide; oxalic acid Formula: C21H26N4O9 MolecularWeight: 478.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22N4O.2C2H2O4/c1-13-11-16(14-5-3-4-6-15(14)18-13)19-17(22)12-21-9-7-20(2)8-10-21;2*3-1(4)2(5)6/h3-6,11H,7-10,12H2,1-2H3,(H,18,19,22);2*(H,3,4)(H,5,6)