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

Systemtic Name: 4-methyl-2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile Openeye Name: 4-methyl-2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile CAS Name: 4-methyl-2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile IUPAC Name: 4-methyl-2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile Traditional Name: 4-methyl-2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)valeronitrile Formula: C18H24N4O MolecularWeight: 312.40936

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(CC(C)C)(CN2C=NC=N2)C#N

Isomeric SMILES

CCCOC1=CC=CC=C1C(CC(C)C)(CN2C=NC=N2)C#N

InChI

InChI=1S/C18H24N4O/c1-4-9-23-17-8-6-5-7-16(17)18(11-19,10-15(2)3)12-22-14-20-13-21-22/h5-8,13-15H,4,9-10,12H2,1-3H3