ethanedioic acid; 1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine Openeye Name: oxalic acid; 1-(4-phenylcyclohexyl)-4-(3-pyridylmethyl)piperazine CAS Name: oxalic acid; 1-(4-phenylcyclohexyl)-4-(3-pyridinylmethyl)piperazine IUPAC Name: oxalic acid; 1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine Traditional Name: oxalic acid; 1-(4-phenylcyclohexyl)-4-(3-pyridylmethyl)piperazine Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)CC4=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)CC4=CN=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3.C2H2O4/c1-2-6-20(7-3-1)21-8-10-22(11-9-21)25-15-13-24(14-16-25)18-19-5-4-12-23-17-19;3-1(4)2(5)6/h1-7,12,17,21-22H,8-11,13-16,18H2;(H,3,4)(H,5,6)