4-[3-[bis(fluoranyl)methyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydroindazol-1-yl]-2-bromanyl-benzenecarbonitrile

Systemtic Name: 4-[3-[bis(fluoranyl)methyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydroindazol-1-yl]-2-bromanyl-benzenecarbonitrile Openeye Name: 2-bromo-4-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]benzonitrile CAS Name: 2-bromo-4-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]benzonitrile IUPAC Name: 2-bromo-4-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]benzonitrile Traditional Name: 2-bromo-4-[3-(difluoromethyl)-4-keto-6,6-dimethyl-5,7-dihydroindazol-1-yl]benzonitrile Formula: C17H14BrF2N3O MolecularWeight: 394.213366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C#N)Br)C(F)F)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C#N)Br)C(F)F)C

InChI

InChI=1S/C17H14BrF2N3O/c1-17(2)6-12-14(13(24)7-17)15(16(19)20)22-23(12)10-4-3-9(8-21)11(18)5-10/h3-5,16H,6-7H2,1-2H3