4-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione Traditional Name: 3-(4-fluorophenyl)-1-(4-methylcyclohexyl)-4-piperonyl-piperazine-2,5-quinone Formula: C25H27FN2O4 MolecularWeight: 438.491283

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2CC(=O)N(C(C2=O)C3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1CCC(CC1)N2CC(=O)N(C(C2=O)C3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27FN2O4/c1-16-2-9-20(10-3-16)27-14-23(29)28(13-17-4-11-21-22(12-17)32-15-31-21)24(25(27)30)18-5-7-19(26)8-6-18/h4-8,11-12,16,20,24H,2-3,9-10,13-15H2,1H3