N-[2-(dimethylamino)quinolin-4-yl]-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanamide; ethanedioic acid

Systemtic Name: N-[2-(dimethylamino)quinolin-4-yl]-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanamide; ethanedioic acid Openeye Name: 2-(4-benzoylpiperazin-1-yl)-N-[2-(dimethylamino)-4-quinolyl]acetamide; oxalic acid CAS Name: 2-(4-benzoyl-1-piperazinyl)-N-[2-(dimethylamino)-4-quinolinyl]acetamide; oxalic acid IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-N-[2-(dimethylamino)quinolin-4-yl]acetamide; oxalic acid Traditional Name: 2-(4-benzoylpiperazino)-N-[2-(dimethylamino)-4-quinolyl]acetamide; oxalic acid Formula: C28H31N5O10 MolecularWeight: 597.57324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2.2C2H2O4/c1-27(2)22-16-21(19-10-6-7-11-20(19)25-22)26-23(30)17-28-12-14-29(15-13-28)24(31)18-8-4-3-5-9-18;2*3-1(4)2(5)6/h3-11,16H,12-15,17H2,1-2H3,(H,25,26,30);2*(H,3,4)(H,5,6)