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

Systemtic Name: 3-[(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]benzenecarbonitrile Openeye Name: 3-[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]benzonitrile CAS Name: 3-[(E)-1-oxo-3-[1-(phenylmethyl)-4-pyrazolyl]prop-2-enyl]benzonitrile IUPAC Name: 3-[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]benzonitrile Traditional Name: 3-[(E)-3-(1-benzylpyrazol-4-yl)acryloyl]benzonitrile Formula: C20H15N3O MolecularWeight: 313.3526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H15N3O/c21-12-17-7-4-8-19(11-17)20(24)10-9-18-13-22-23(15-18)14-16-5-2-1-3-6-16/h1-11,13,15H,14H2/b10-9+