ethanedioic acid; N-methyl-N-phenyl-2-[4-(phenylcarbonyl)piperazin-1-yl]propanamide

Systemtic Name: ethanedioic acid; N-methyl-N-phenyl-2-[4-(phenylcarbonyl)piperazin-1-yl]propanamide Openeye Name: 2-(4-benzoylpiperazin-1-yl)-N-methyl-N-phenyl-propanamide; oxalic acid CAS Name: 2-(4-benzoyl-1-piperazinyl)-N-methyl-N-phenylpropanamide; oxalic acid IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-N-methyl-N-phenylpropanamide; oxalic acid Traditional Name: 2-(4-benzoylpiperazino)-N-methyl-N-phenyl-propionamide; oxalic acid Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)N(C)C1=CC=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25N3O2.C2H2O4/c1-17(20(25)22(2)19-11-7-4-8-12-19)23-13-15-24(16-14-23)21(26)18-9-5-3-6-10-18;3-1(4)2(5)6/h3-12,17H,13-16H2,1-2H3;(H,3,4)(H,5,6)