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

Systemtic Name: ethanedioic acid; (3-fluorophenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone Openeye Name: (3-fluorophenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3-fluorophenyl)-[4-(4-phenylcyclohexyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-fluorophenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3-fluorophenyl)-[4-(4-phenylcyclohexyl)piperazino]methanone; oxalic acid Formula: C25H29FN2O5 MolecularWeight: 456.506563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN2O.C2H2O4/c24-21-8-4-7-20(17-21)23(27)26-15-13-25(14-16-26)22-11-9-19(10-12-22)18-5-2-1-3-6-18;3-1(4)2(5)6/h1-8,17,19,22H,9-16H2;(H,3,4)(H,5,6)