1-(1-azanyl-4-bromanyl-isoquinolin-6-yl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one

Systemtic Name: 1-(1-azanyl-4-bromanyl-isoquinolin-6-yl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one Openeye Name: 1-(1-amino-4-bromo-6-isoquinolyl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one CAS Name: 1-(1-amino-4-bromo-6-isoquinolinyl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one IUPAC Name: 1-(1-amino-4-bromoisoquinolin-6-yl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one Traditional Name: 1-(1-amino-4-bromo-6-isoquinolyl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one Formula: C19H16BrF3N4O MolecularWeight: 453.25575

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC4=C(C=C3)C(=NC=C4Br)N)C(F)(F)F)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC4=C(C=C3)C(=NC=C4Br)N)C(F)(F)F)C

InChI

InChI=1S/C19H16BrF3N4O/c1-18(2)6-13-15(14(28)7-18)16(19(21,22)23)26-27(13)9-3-4-10-11(5-9)12(20)8-25-17(10)24/h3-5,8H,6-7H2,1-2H3,(H2,24,25)