(E)-2-(3-methoxyphenyl)carbonyl-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(3-methoxyphenyl)carbonyl-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(3-methoxybenzoyl)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-[(3-methoxyphenyl)-oxomethyl]-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(3-methoxybenzoyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-m-anisoyl-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C27H21N3O3 MolecularWeight: 435.47394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)C3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H21N3O3/c1-32-24-13-11-19(12-14-24)26-22(18-30(29-26)23-8-4-3-5-9-23)15-21(17-28)27(31)20-7-6-10-25(16-20)33-2/h3-16,18H,1-2H3/b21-15+