2-[4-(diphenylmethyl)piperazin-1-yl]-N-(2-methylquinolin-4-yl)ethanamide; ethanedioic acid

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]-N-(2-methylquinolin-4-yl)ethanamide; ethanedioic acid Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-N-(2-methyl-4-quinolyl)acetamide; oxalic acid CAS Name: 2-[4-(diphenylmethyl)-1-piperazinyl]-N-(2-methyl-4-quinolinyl)acetamide; oxalic acid IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide; oxalic acid Traditional Name: 2-(4-benzhydrylpiperazino)-N-(2-methyl-4-quinolyl)acetamide; oxalic acid Formula: C33H34N4O9 MolecularWeight: 630.64446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.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(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H30N4O.2C2H2O4/c1-22-20-27(25-14-8-9-15-26(25)30-22)31-28(34)21-32-16-18-33(19-17-32)29(23-10-4-2-5-11-23)24-12-6-3-7-13-24;2*3-1(4)2(5)6/h2-15,20,29H,16-19,21H2,1H3,(H,30,31,34);2*(H,3,4)(H,5,6)