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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C(=CC2=CN(N=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)/C(=C/C2=CN(N=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H17N3O2/c1-26-20-10-6-5-9-19(20)21(25)18(12-22)11-17-13-23-24(15-17)14-16-7-3-2-4-8-16/h2-11,13,15H,14H2,1H3/b18-11+