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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C(=O)CC3=CC=CC=C3)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)27-17-15-26(16-18-27)23-11-13-25(14-12-23)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)