ethanedioic acid; [4-(4-phenylcyclohexyl)piperazin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: ethanedioic acid; [4-(4-phenylcyclohexyl)piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: oxalic acid; [4-(4-phenylcyclohexyl)piperazin-1-yl]-(4-pyridyl)methanone CAS Name: oxalic acid; [4-(4-phenylcyclohexyl)-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: oxalic acid; [4-(4-phenylcyclohexyl)piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: oxalic acid; [4-(4-phenylcyclohexyl)piperazino]-(4-pyridyl)methanone Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O.C2H2O4/c26-22(20-10-12-23-13-11-20)25-16-14-24(15-17-25)21-8-6-19(7-9-21)18-4-2-1-3-5-18;3-1(4)2(5)6/h1-5,10-13,19,21H,6-9,14-17H2;(H,3,4)(H,5,6)