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

Systemtic Name: ethyl (Z)-2-cyano-3-[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (Z)-2-cyano-3-[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[3-(3-ethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-[3-(3-ethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-(3-m-phenetyl-1-phenyl-pyrazol-4-yl)acrylic acid ethyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O3/c1-3-28-21-12-8-9-17(14-21)22-19(13-18(15-24)23(27)29-4-2)16-26(25-22)20-10-6-5-7-11-20/h5-14,16H,3-4H2,1-2H3/b18-13-