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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4/c1-16(14-24)30-22(27)12-10-18-15-26(19-7-5-4-6-8-19)25-23(18)17-9-11-20(28-2)21(13-17)29-3/h4-13,15-16H,1-3H3/b12-10+