2-(2,5-dimethyl-4-phenylmethoxy-pyrazol-3-yl)ethanenitrile

Systemtic Name: 2-(2,5-dimethyl-4-phenylmethoxy-pyrazol-3-yl)ethanenitrile Openeye Name: 2-(4-benzyloxy-2,5-dimethyl-pyrazol-3-yl)acetonitrile CAS Name: 2-(2,5-dimethyl-4-phenylmethoxy-3-pyrazolyl)acetonitrile IUPAC Name: 2-(2,5-dimethyl-4-phenylmethoxypyrazol-3-yl)acetonitrile Traditional Name: 2-(4-benzoxy-2,5-dimethyl-pyrazol-3-yl)acetonitrile Formula: C14H15N3O MolecularWeight: 241.2884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1OCC2=CC=CC=C2)CC#N)C

Isomeric SMILES

CC1=NN(C(=C1OCC2=CC=CC=C2)CC#N)C

InChI

InChI=1S/C14H15N3O/c1-11-14(13(8-9-15)17(2)16-11)18-10-12-6-4-3-5-7-12/h3-7H,8,10H2,1-2H3