ethanedioic acid; N-(2-methylphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]propanamide

Systemtic Name: ethanedioic acid; N-(2-methylphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]propanamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(o-tolyl)propanamide; oxalic acid CAS Name: N-(2-methylphenyl)-2-[4-(phenylmethyl)-1-piperazinyl]propanamide; oxalic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)propanamide; oxalic acid Traditional Name: 2-(4-benzylpiperazino)-N-(o-tolyl)propionamide; oxalic acid Formula: C25H31N3O9 MolecularWeight: 517.52834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3O.2C2H2O4/c1-17-8-6-7-11-20(17)22-21(25)18(2)24-14-12-23(13-15-24)16-19-9-4-3-5-10-19;2*3-1(4)2(5)6/h3-11,18H,12-16H2,1-2H3,(H,22,25);2*(H,3,4)(H,5,6)