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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O.C2H2O4/c27-23(21-9-5-2-6-10-21)26-17-15-25(16-18-26)22-11-13-24(14-12-22)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)