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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CC(=O)N(C(C2=O)C3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCC(CC1)N2CC(=O)N(C(C2=O)C3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27FN2O4/c26-19-10-8-18(9-11-19)24-25(30)27(20-5-3-1-2-4-6-20)15-23(29)28(24)14-17-7-12-21-22(13-17)32-16-31-21/h7-13,20,24H,1-6,14-16H2