3-[(3,4-dimethylphenyl)amino]-1-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 3-[(3,4-dimethylphenyl)amino]-1-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-(3,4-dimethylanilino)-1-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one CAS Name: 3-(3,4-dimethylanilino)-1-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 3-(3,4-dimethylanilino)-1-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-(3,4-dimethylanilino)-1-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one Formula: C21H20FN3O MolecularWeight: 349.401403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN(C3=C2C(=O)CCC3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN(C3=C2C(=O)CCC3)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H20FN3O/c1-13-6-9-16(12-14(13)2)23-21-20-18(4-3-5-19(20)26)25(24-21)17-10-7-15(22)8-11-17/h6-12H,3-5H2,1-2H3,(H,23,24)