ethanedioic acid; (3-fluorophenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (3-fluorophenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone Openeye Name: (3-fluorophenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3-fluorophenyl)-[4-(2-methylcyclohexyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-fluorophenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3-fluorophenyl)-[4-(2-methylcyclohexyl)piperazino]methanone; oxalic acid Formula: C20H27FN2O5 MolecularWeight: 394.437183

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2CCN(CC2)C(=O)C3=CC(=CC=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCCC1N2CCN(CC2)C(=O)C3=CC(=CC=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25FN2O.C2H2O4/c1-14-5-2-3-8-17(14)20-9-11-21(12-10-20)18(22)15-6-4-7-16(19)13-15;3-1(4)2(5)6/h4,6-7,13-14,17H,2-3,5,8-12H2,1H3;(H,3,4)(H,5,6)