[4-(4-fluorophenyl)-4-oxidanylidene-butyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C24H23FN2O3 MolecularWeight: 406.449423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H23FN2O3/c1-17-22(18(2)27(26-17)21-7-4-3-5-8-21)14-15-24(29)30-16-6-9-23(28)19-10-12-20(25)13-11-19/h3-5,7-8,10-15H,6,9,16H2,1-2H3/b15-14+