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

Systemtic Name: ethyl (Z)-3-[3-(3-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl (Z)-3-[3-(3-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[3-(3-butoxyphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[3-(3-butoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[3-(3-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-acrylic acid ethyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3/c1-3-5-14-31-23-13-9-10-19(16-23)24-21(15-20(17-26)25(29)30-4-2)18-28(27-24)22-11-7-6-8-12-22/h6-13,15-16,18H,3-5,14H2,1-2H3/b20-15-