(E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-(4-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-2-[(4-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-p-anisoyl-acrylonitrile Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=C(C#N)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C(\C#N)/C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H21N3O2/c1-16-22(17(2)26(25-16)15-18-7-5-4-6-8-18)13-20(14-24)23(27)19-9-11-21(28-3)12-10-19/h4-13H,15H2,1-3H3/b20-13+