2-[3-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)-5-(2-oxidanylpropan-2-yl)phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[3-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)-5-(2-oxidanylpropan-2-yl)phenyl]-2-methyl-propanenitrile Openeye Name: 2-[3-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-2-methyl-propanenitrile CAS Name: 2-[3-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)-5-(2-hydroxypropan-2-yl)phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)-5-(2-hydroxypropan-2-yl)phenyl]-2-methylpropanenitrile Traditional Name: 2-[3-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-2-methyl-propionitrile Formula: C16H22N4O MolecularWeight: 286.37208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1)CN2CN=CN2)C(C)(C)O

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC(=C1)CN2CN=CN2)C(C)(C)O

InChI

InChI=1S/C16H22N4O/c1-15(2,9-17)13-5-12(8-20-11-18-10-19-20)6-14(7-13)16(3,4)21/h5-7,10,21H,8,11H2,1-4H3,(H,18,19)