1-(2,4-dimethylphenyl)-4-(phenylmethyl)piperazin-2-one; ethanedioic acid

Systemtic Name: 1-(2,4-dimethylphenyl)-4-(phenylmethyl)piperazin-2-one; ethanedioic acid Openeye Name: 4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one; oxalic acid CAS Name: 1-(2,4-dimethylphenyl)-4-(phenylmethyl)-2-piperazinone; oxalic acid IUPAC Name: 4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one; oxalic acid Traditional Name: 4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one; oxalic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2=O)CC3=CC=CC=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2=O)CC3=CC=CC=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22N2O.C2H2O4/c1-15-8-9-18(16(2)12-15)21-11-10-20(14-19(21)22)13-17-6-4-3-5-7-17;3-1(4)2(5)6/h3-9,12H,10-11,13-14H2,1-2H3;(H,3,4)(H,5,6)