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

Systemtic Name: ethanedioic acid; N-(2-methylquinolin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamide Openeye Name: N-(2-methyl-4-quinolyl)-2-(4-phenylpiperazin-1-yl)acetamide; oxalic acid CAS Name: N-(2-methyl-4-quinolinyl)-2-(4-phenyl-1-piperazinyl)acetamide; oxalic acid IUPAC Name: N-(2-methylquinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide; oxalic acid Traditional Name: N-(2-methyl-4-quinolyl)-2-(4-phenylpiperazino)acetamide; oxalic acid Formula: C26H28N4O9 MolecularWeight: 540.52192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CN3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CN3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H24N4O.2C2H2O4/c1-17-15-21(19-9-5-6-10-20(19)23-17)24-22(27)16-25-11-13-26(14-12-25)18-7-3-2-4-8-18;2*3-1(4)2(5)6/h2-10,15H,11-14,16H2,1H3,(H,23,24,27);2*(H,3,4)(H,5,6)