2-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]ethanenitrile

Systemtic Name: 2-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acetonitrile CAS Name: 2-[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]acetonitrile Traditional Name: 2-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acetonitrile Formula: C18H15N3O MolecularWeight: 289.3312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2CC#N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2CC#N)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O/c1-22-17-9-5-6-14(12-17)18-15(10-11-19)13-21(20-18)16-7-3-2-4-8-16/h2-9,12-13H,10H2,1H3