2-(3-hydroxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)ethanenitrile

Systemtic Name: 2-(3-hydroxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)ethanenitrile Openeye Name: 2-(3-hydroxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile CAS Name: 2-(3-hydroxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile IUPAC Name: 2-(3-hydroxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile Traditional Name: 2-(3-hydroxyphenyl)-2-(3,5,5-trimethyl-2-pyrazolin-1-yl)acetonitrile Formula: C14H17N3O MolecularWeight: 243.30428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)C)C(C#N)C2=CC(=CC=C2)O

Isomeric SMILES

CC1=NN(C(C1)(C)C)C(C#N)C2=CC(=CC=C2)O

InChI

InChI=1S/C14H17N3O/c1-10-8-14(2,3)17(16-10)13(9-15)11-5-4-6-12(18)7-11/h4-7,13,18H,8H2,1-3H3