4-[(E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)acryloyl]benzonitrile Formula: C22H19N3O MolecularWeight: 341.40576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O/c1-16-21(12-13-22(26)20-10-8-18(14-23)9-11-20)17(2)25(24-16)15-19-6-4-3-5-7-19/h3-13H,15H2,1-2H3/b13-12+