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

Systemtic Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-phenyl-prop-2-enenitrile Openeye Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-phenyl-prop-2-enenitrile CAS Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-phenyl-2-propenenitrile IUPAC Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-phenylprop-2-enenitrile Traditional Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-phenyl-acrylonitrile Formula: C26H21N3O2 MolecularWeight: 407.46384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H21N3O2/c1-30-24-14-13-20(16-25(24)31-2)26-22(15-21(17-27)19-9-5-3-6-10-19)18-29(28-26)23-11-7-4-8-12-23/h3-16,18H,1-2H3