ethanedioic acid; [4-[1-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: ethanedioic acid; [4-[1-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-(1-benzyl-4-piperidyl)piperazin-1-yl]-(3-pyridyl)methanone; oxalic acid CAS Name: oxalic acid; [4-[1-(phenylmethyl)-4-piperidinyl]-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone; oxalic acid Traditional Name: [4-(1-benzyl-4-piperidyl)piperazino]-(3-pyridyl)methanone; oxalic acid Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O.C2H2O4/c27-22(20-7-4-10-23-17-20)26-15-13-25(14-16-26)21-8-11-24(12-9-21)18-19-5-2-1-3-6-19;3-1(4)2(5)6/h1-7,10,17,21H,8-9,11-16,18H2;(H,3,4)(H,5,6)