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

Systemtic Name: N-[2-(dimethylamino)quinolin-4-yl]-2-(4-phenylpiperazin-1-yl)ethanamide; ethanedioic acid Openeye Name: N-[2-(dimethylamino)-4-quinolyl]-2-(4-phenylpiperazin-1-yl)acetamide; oxalic acid CAS Name: N-[2-(dimethylamino)-4-quinolinyl]-2-(4-phenyl-1-piperazinyl)acetamide; oxalic acid IUPAC Name: N-[2-(dimethylamino)quinolin-4-yl]-2-(4-phenylpiperazin-1-yl)acetamide; oxalic acid Traditional Name: N-[2-(dimethylamino)-4-quinolyl]-2-(4-phenylpiperazino)acetamide; oxalic acid Formula: C27H31N5O9 MolecularWeight: 569.56314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=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

CN(C)C1=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/C23H27N5O.2C2H2O4/c1-26(2)22-16-21(19-10-6-7-11-20(19)24-22)25-23(29)17-27-12-14-28(15-13-27)18-8-4-3-5-9-18;2*3-1(4)2(5)6/h3-11,16H,12-15,17H2,1-2H3,(H,24,25,29);2*(H,3,4)(H,5,6)