1-(4-chlorophenyl)-3-[(4-fluorophenyl)amino]-6,6-dimethyl-5,7-dihydroindazol-4-one

Systemtic Name: 1-(4-chlorophenyl)-3-[(4-fluorophenyl)amino]-6,6-dimethyl-5,7-dihydroindazol-4-one Openeye Name: 1-(4-chlorophenyl)-3-(4-fluoroanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one CAS Name: 1-(4-chlorophenyl)-3-(4-fluoroanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one IUPAC Name: 1-(4-chlorophenyl)-3-(4-fluoroanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one Traditional Name: 1-(4-chlorophenyl)-3-(4-fluoroanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one Formula: C21H19ClFN3O MolecularWeight: 383.846463

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H19ClFN3O/c1-21(2)11-17-19(18(27)12-21)20(24-15-7-5-14(23)6-8-15)25-26(17)16-9-3-13(22)4-10-16/h3-10H,11-12H2,1-2H3,(H,24,25)