ethyl (E)-2-cyano-3-[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(4-ethylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid ethyl ester Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O2/c1-3-17-10-12-18(13-11-17)22-20(14-19(15-24)23(27)28-4-2)16-26(25-22)21-8-6-5-7-9-21/h5-14,16H,3-4H2,1-2H3/b19-14+