1-(4-azanylquinazolin-7-yl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one

Systemtic Name: 1-(4-azanylquinazolin-7-yl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one Openeye Name: 1-(4-aminoquinazolin-7-yl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one CAS Name: 1-(4-amino-7-quinazolinyl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one IUPAC Name: 1-(4-aminoquinazolin-7-yl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one Traditional Name: 1-(4-aminoquinazolin-7-yl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one Formula: C18H16F3N5O MolecularWeight: 375.34775

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC4=C(C=C3)C(=NC=N4)N)C(F)(F)F)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC4=C(C=C3)C(=NC=N4)N)C(F)(F)F)C

InChI

InChI=1S/C18H16F3N5O/c1-17(2)6-12-14(13(27)7-17)15(18(19,20)21)25-26(12)9-3-4-10-11(5-9)23-8-24-16(10)22/h3-5,8H,6-7H2,1-2H3,(H2,22,23,24)