6,6-dimethyl-1-phenyl-3-[[3-(trifluoromethyl)phenyl]amino]-5,7-dihydroindazol-4-one

Systemtic Name: 6,6-dimethyl-1-phenyl-3-[[3-(trifluoromethyl)phenyl]amino]-5,7-dihydroindazol-4-one Openeye Name: 6,6-dimethyl-1-phenyl-3-[3-(trifluoromethyl)anilino]-5,7-dihydroindazol-4-one CAS Name: 6,6-dimethyl-1-phenyl-3-[3-(trifluoromethyl)anilino]-5,7-dihydroindazol-4-one IUPAC Name: 6,6-dimethyl-1-phenyl-3-[3-(trifluoromethyl)anilino]-5,7-dihydroindazol-4-one Traditional Name: 6,6-dimethyl-1-phenyl-3-[3-(trifluoromethyl)anilino]-5,7-dihydroindazol-4-one Formula: C22H20F3N3O MolecularWeight: 399.40891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC=CC=C3)NC4=CC=CC(=C4)C(F)(F)F)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC=CC=C3)NC4=CC=CC(=C4)C(F)(F)F)C

InChI

InChI=1S/C22H20F3N3O/c1-21(2)12-17-19(18(29)13-21)20(27-28(17)16-9-4-3-5-10-16)26-15-8-6-7-14(11-15)22(23,24)25/h3-11H,12-13H2,1-2H3,(H,26,27)