2-(2-methoxyphenyl)-2-(oxan-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanenitrile

Systemtic Name: 2-(2-methoxyphenyl)-2-(oxan-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanenitrile Openeye Name: 2-(2-methoxyphenyl)-2-(tetrahydropyran-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanenitrile CAS Name: 2-(2-methoxyphenyl)-2-(2-oxanylmethyl)-3-(1,2,4-triazol-1-yl)propanenitrile IUPAC Name: 2-(2-methoxyphenyl)-2-(oxan-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanenitrile Traditional Name: 2-(2-methoxyphenyl)-2-(tetrahydropyran-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propionitrile Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CC2CCCCO2)(CN3C=NC=N3)C#N

Isomeric SMILES

COC1=CC=CC=C1C(CC2CCCCO2)(CN3C=NC=N3)C#N

InChI

InChI=1S/C18H22N4O2/c1-23-17-8-3-2-7-16(17)18(11-19,12-22-14-20-13-21-22)10-15-6-4-5-9-24-15/h2-3,7-8,13-15H,4-6,9-10,12H2,1H3