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

Systemtic Name: ethyl (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid ethyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C23H21N3O4/c1-4-30-23(27)17(14-24)12-18-15-26(19-8-6-5-7-9-19)25-22(18)16-10-11-20(28-2)21(13-16)29-3/h5-13,15H,4H2,1-3H3/b17-12+