3-[4-(hydroxymethyl)-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-(hydroxymethyl)-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-(hydroxymethyl)-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-(hydroxymethyl)-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-(hydroxymethyl)-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-(4-methylol-3-phenyl-pyrazol-1-yl)propionitrile Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CO)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CO)CCC#N

InChI

InChI=1S/C13H13N3O/c14-7-4-8-16-9-12(10-17)13(15-16)11-5-2-1-3-6-11/h1-3,5-6,9,17H,4,8,10H2