ethanedioic acid; (4-phenylpiperazin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone

Systemtic Name: ethanedioic acid; (4-phenylpiperazin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone Openeye Name: oxalic acid; (4-phenylpiperazin-1-yl)-[1-(3-pyridylmethyl)-4-piperidyl]methanone CAS Name: oxalic acid; (4-phenyl-1-piperazinyl)-[1-(3-pyridinylmethyl)-4-piperidinyl]methanone IUPAC Name: oxalic acid; (4-phenylpiperazin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone Traditional Name: oxalic acid; (4-phenylpiperazino)-[1-(3-pyridylmethyl)-4-piperidyl]methanone Formula: C24H30N4O5 MolecularWeight: 454.5188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CN=CC=C4.C(=O)(C(=O)O)O

InChI

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