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

Systemtic Name: ethanedioic acid; [4-(4-phenylcyclohexyl)piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: oxalic acid; [4-(4-phenylcyclohexyl)piperazin-1-yl]-(3-pyridyl)methanone CAS Name: oxalic acid; [4-(4-phenylcyclohexyl)-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: oxalic acid; [4-(4-phenylcyclohexyl)piperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: oxalic acid; [4-(4-phenylcyclohexyl)piperazino]-(3-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=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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