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

Systemtic Name: (E)-2-(4-methoxyphenyl)carbonyl-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(4-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-2-[(4-methoxyphenyl)-oxomethyl]-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(4-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-p-anisoyl-acrylonitrile Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=CC2=CN(N=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C/C2=CN(N=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H17N3O2/c1-26-20-9-7-18(8-10-20)21(25)19(12-22)11-17-13-23-24(15-17)14-16-5-3-2-4-6-16/h2-11,13,15H,14H2,1H3/b19-11+