4-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-(1-methylpyrazol-4-yl)acryloyl]benzonitrile Formula: C14H11N3O MolecularWeight: 237.25664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H11N3O/c1-17-10-12(9-16-17)4-7-14(18)13-5-2-11(8-15)3-6-13/h2-7,9-10H,1H3/b7-4+