2-[(2-fluorophenyl)-(1H-indol-3-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(2-fluorophenyl)-(1H-indol-3-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(2-fluorophenyl)-(1H-indol-3-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(2-fluorophenyl)-(1H-indol-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(2-fluorophenyl)-(1H-indol-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(2-fluorophenyl)-(1H-indol-3-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C23H22FNO2 MolecularWeight: 363.424683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(C2=CC=CC=C2F)C3=CNC4=CC=CC=C43)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(C2=CC=CC=C2F)C3=CNC4=CC=CC=C43)C

InChI

InChI=1S/C23H22FNO2/c1-23(2)11-19(26)22(20(27)12-23)21(15-8-3-5-9-17(15)24)16-13-25-18-10-6-4-7-14(16)18/h3-10,13,21-22,25H,11-12H2,1-2H3