ethanedioic acid; 2-phenyl-1-[4-[4-(phenylmethyl)piperazin-1-yl]piperidin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-phenyl-1-[4-[4-(phenylmethyl)piperazin-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-(4-benzylpiperazin-1-yl)-1-piperidyl]-2-phenyl-ethanone; oxalic acid CAS Name: oxalic acid; 2-phenyl-1-[4-[4-(phenylmethyl)-1-piperazinyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-[4-(4-benzylpiperazino)piperidino]-2-phenyl-ethanone; oxalic acid Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)CC3=CC=CC=C3)C(=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)CC3=CC=CC=C3)C(=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H31N3O.C2H2O4/c28-24(19-21-7-3-1-4-8-21)27-13-11-23(12-14-27)26-17-15-25(16-18-26)20-22-9-5-2-6-10-22;3-1(4)2(5)6/h1-10,23H,11-20H2;(H,3,4)(H,5,6)