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

Systemtic Name: (E)-2-(3-methylphenyl)carbonyl-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(3-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-2-[(3-methylphenyl)-oxomethyl]-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(3-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-m-toluoyl-acrylonitrile Formula: C21H17N3O MolecularWeight: 327.37918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=CN(N=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=CN(N=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H17N3O/c1-16-6-5-9-19(10-16)21(25)20(12-22)11-18-13-23-24(15-18)14-17-7-3-2-4-8-17/h2-11,13,15H,14H2,1H3/b20-11+