3-[5-chloranyl-4-(hydroxymethyl)-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[5-chloranyl-4-(hydroxymethyl)-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[5-chloro-4-(hydroxymethyl)-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[5-chloro-4-(hydroxymethyl)-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[5-chloro-4-(hydroxymethyl)-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-(5-chloro-4-methylol-3-phenyl-pyrazol-1-yl)propionitrile Formula: C13H12ClN3O MolecularWeight: 261.70688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O/c14-13-11(9-18)12(10-5-2-1-3-6-10)16-17(13)8-4-7-15/h1-3,5-6,18H,4,8-9H2