[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] (E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C24H24FN3O3 MolecularWeight: 421.464063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C=CC2=C(N(N=C2C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)/C=C/C2=C(N(N=C2C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C24H24FN3O3/c1-15-5-6-16(2)22(13-15)26-23(29)14-31-24(30)12-11-21-17(3)27-28(18(21)4)20-9-7-19(25)8-10-20/h5-13H,14H2,1-4H3,(H,26,29)/b12-11+