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

Systemtic Name: 3-[(4-ethylphenyl)amino]-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-(4-ethylanilino)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one CAS Name: 3-(4-ethylanilino)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one IUPAC Name: 3-(4-ethylanilino)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-(4-ethylanilino)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one Formula: C22H22FN3O MolecularWeight: 363.427983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NN(C3=C2C(=O)CC(C3)C)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN(C3=C2C(=O)CC(C3)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O/c1-3-15-4-8-17(9-5-15)24-22-21-19(12-14(2)13-20(21)27)26(25-22)18-10-6-16(23)7-11-18/h4-11,14H,3,12-13H2,1-2H3,(H,24,25)