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

Systemtic Name: ethanedioic acid; N-phenyl-N-[1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]propanamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-ethyl]-N-phenyl-propanamide; oxalic acid CAS Name: oxalic acid; N-phenyl-N-[1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]propanamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-phenylpropanamide; oxalic acid Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-ethyl]-N-phenyl-propionamide; oxalic acid Formula: C27H35N3O9 MolecularWeight: 545.5815

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31N3O.2C2H2O4/c1-3-23(27)26(22-12-8-5-9-13-22)20(2)18-24-14-16-25(17-15-24)19-21-10-6-4-7-11-21;2*3-1(4)2(5)6/h4-13,20H,3,14-19H2,1-2H3;2*(H,3,4)(H,5,6)