1-azanyl-6-[3-[bis(fluoranyl)methyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydroindazol-1-yl]isoquinoline-4-carbonitrile

Systemtic Name: 1-azanyl-6-[3-[bis(fluoranyl)methyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydroindazol-1-yl]isoquinoline-4-carbonitrile Openeye Name: 1-amino-6-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]isoquinoline-4-carbonitrile CAS Name: 1-amino-6-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-isoquinolinecarbonitrile IUPAC Name: 1-amino-6-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]isoquinoline-4-carbonitrile Traditional Name: 1-amino-6-[3-(difluoromethyl)-4-keto-6,6-dimethyl-5,7-dihydroindazol-1-yl]isoquinoline-4-carbonitrile Formula: C20H17F2N5O MolecularWeight: 381.378686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC4=C(C=C3)C(=NC=C4C#N)N)C(F)F)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC4=C(C=C3)C(=NC=C4C#N)N)C(F)F)C

InChI

InChI=1S/C20H17F2N5O/c1-20(2)6-14-16(15(28)7-20)17(18(21)22)26-27(14)11-3-4-12-13(5-11)10(8-23)9-25-19(12)24/h3-5,9,18H,6-7H2,1-2H3,(H2,24,25)