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

Systemtic Name: 2-[3-(3-methoxyphenyl)-1-methyl-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[3-(3-methoxyphenyl)-1-methyl-pyrazol-4-yl]acetonitrile CAS Name: 2-[3-(3-methoxyphenyl)-1-methyl-4-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(3-methoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile Traditional Name: 2-[3-(3-methoxyphenyl)-1-methyl-pyrazol-4-yl]acetonitrile Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O/c1-16-9-11(6-7-14)13(15-16)10-4-3-5-12(8-10)17-2/h3-5,8-9H,6H2,1-2H3