3-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-1-(4-methylcyclohexyl)piperazine-2,5-dione

Systemtic Name: 3-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-1-(4-methylcyclohexyl)piperazine-2,5-dione Openeye Name: 3-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-1-(4-methylcyclohexyl)piperazine-2,5-dione CAS Name: 3-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-1-(4-methylcyclohexyl)piperazine-2,5-dione IUPAC Name: 3-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-1-(4-methylcyclohexyl)piperazine-2,5-dione Traditional Name: 3-(2,5-dimethoxyphenyl)-4-(4-fluorobenzyl)-1-(4-methylcyclohexyl)piperazine-2,5-quinone Formula: C26H31FN2O4 MolecularWeight: 454.533743

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2CC(=O)N(C(C2=O)C3=C(C=CC(=C3)OC)OC)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1CCC(CC1)N2CC(=O)N(C(C2=O)C3=C(C=CC(=C3)OC)OC)CC4=CC=C(C=C4)F

InChI

InChI=1S/C26H31FN2O4/c1-17-4-10-20(11-5-17)28-16-24(30)29(15-18-6-8-19(27)9-7-18)25(26(28)31)22-14-21(32-2)12-13-23(22)33-3/h6-9,12-14,17,20,25H,4-5,10-11,15-16H2,1-3H3