1-(4,6-dimethylpyrimidin-2-yl)-6-(4-fluorophenyl)-3-(prop-2-enylamino)-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-6-(4-fluorophenyl)-3-(prop-2-enylamino)-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-(allylamino)-1-(4,6-dimethylpyrimidin-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-6-(4-fluorophenyl)-3-(prop-2-enylamino)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-6-(4-fluorophenyl)-3-(prop-2-enylamino)-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-(allylamino)-1-(4,6-dimethylpyrimidin-2-yl)-6-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one Formula: C22H22FN5O MolecularWeight: 391.441383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C3=C(C(=O)CC(C3)C4=CC=C(C=C4)F)C(=N2)NCC=C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C3=C(C(=O)CC(C3)C4=CC=C(C=C4)F)C(=N2)NCC=C)C

InChI

InChI=1S/C22H22FN5O/c1-4-9-24-21-20-18(28(27-21)22-25-13(2)10-14(3)26-22)11-16(12-19(20)29)15-5-7-17(23)8-6-15/h4-8,10,16H,1,9,11-12H2,2-3H3,(H,24,27)