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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=CC=C3F.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=CC=C3F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25FN2O.C2H2O4/c1-14-6-8-15(9-7-14)20-10-12-21(13-11-20)18(22)16-4-2-3-5-17(16)19;3-1(4)2(5)6/h2-5,14-15H,6-13H2,1H3;(H,3,4)(H,5,6)