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

Systemtic Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(3-methylphenyl)prop-2-enenitrile Openeye Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(m-tolyl)prop-2-enenitrile CAS Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-(3-methylphenyl)-2-propenenitrile IUPAC Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-(3-methylphenyl)prop-2-enenitrile Traditional Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(m-tolyl)acrylonitrile Formula: C27H23N3O2 MolecularWeight: 421.49042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=CC(=C1)/C(=C\C2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H23N3O2/c1-19-8-7-9-20(14-19)22(17-28)15-23-18-30(24-10-5-4-6-11-24)29-27(23)21-12-13-25(31-2)26(16-21)32-3/h4-16,18H,1-3H3/b22-15-