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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25FN2O.C2H2O4/c1-14-4-2-7-17(12-14)20-8-10-21(11-9-20)18(22)15-5-3-6-16(19)13-15;3-1(4)2(5)6/h3,5-6,13-14,17H,2,4,7-12H2,1H3;(H,3,4)(H,5,6)