ethanedioic acid; (2-fluorophenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (2-fluorophenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone Openeye Name: (2-fluorophenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (2-fluorophenyl)-[4-(4-phenylcyclohexyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (2-fluorophenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (2-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=C4F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F.C(=O)(C(=O)O)O

InChI

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