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

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

CCC1=CC=C(C=C1)NC2=NN(C3=C2C(=O)CCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN(C3=C2C(=O)CCC3)C4=CC=C(C=C4)F

InChI

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