ethyl (Z)-3-[3-(4-butoxy-3-chloranyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (Z)-3-[3-(4-butoxy-3-chloranyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl (Z)-3-[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[3-(4-butoxy-3-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[3-(4-butoxy-3-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-acrylic acid ethyl ester Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OCC)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)OCC)C3=CC=CC=C3)Cl

InChI

InChI=1S/C25H24ClN3O3/c1-3-5-13-32-23-12-11-18(15-22(23)26)24-20(14-19(16-27)25(30)31-4-2)17-29(28-24)21-9-7-6-8-10-21/h6-12,14-15,17H,3-5,13H2,1-2H3/b19-14-