2-(2-methoxyphenyl)-4-methyl-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile

Systemtic Name: 2-(2-methoxyphenyl)-4-methyl-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile Openeye Name: 2-(2-methoxyphenyl)-4-methyl-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile CAS Name: 2-(2-methoxyphenyl)-4-methyl-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile IUPAC Name: 2-(2-methoxyphenyl)-4-methyl-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile Traditional Name: 2-(2-methoxyphenyl)-4-methyl-2-(1,2,4-triazol-1-ylmethyl)valeronitrile Formula: C16H20N4O MolecularWeight: 284.3562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CN1C=NC=N1)(C#N)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)CC(CN1C=NC=N1)(C#N)C2=CC=CC=C2OC

InChI

InChI=1S/C16H20N4O/c1-13(2)8-16(9-17,10-20-12-18-11-19-20)14-6-4-5-7-15(14)21-3/h4-7,11-13H,8,10H2,1-3H3