cyanomethyl (E)-3-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: cyanomethyl (E)-3-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid cyanomethyl ester Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)OCC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC#N)C3=CC=CC=C3)C

InChI

InChI=1S/C22H19N3O2/c1-16-8-9-18(14-17(16)2)22-19(10-11-21(26)27-13-12-23)15-25(24-22)20-6-4-3-5-7-20/h3-11,14-15H,13H2,1-2H3/b11-10+