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

Systemtic Name: ethanedioic acid; phenyl-[4-[4-(phenylmethyl)piperazin-1-yl]piperidin-1-yl]methanone Openeye Name: [4-(4-benzylpiperazin-1-yl)-1-piperidyl]-phenyl-methanone; oxalic acid CAS Name: oxalic acid; phenyl-[4-[4-(phenylmethyl)-1-piperazinyl]-1-piperidinyl]methanone IUPAC Name: [4-(4-benzylpiperazin-1-yl)piperidin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(4-benzylpiperazino)piperidino]-phenyl-methanone; oxalic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O.C2H2O4/c27-23(21-9-5-2-6-10-21)26-13-11-22(12-14-26)25-17-15-24(16-18-25)19-20-7-3-1-4-8-20;3-1(4)2(5)6/h1-10,22H,11-19H2;(H,3,4)(H,5,6)