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

Systemtic Name: 2-methyl-2-[3-[(4-phenylmethoxyphenoxy)methyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]propanenitrile Openeye Name: 2-[3-[(4-benzyloxyphenoxy)methyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile CAS Name: 2-methyl-2-[3-[(4-phenylmethoxyphenoxy)methyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]propanenitrile IUPAC Name: 2-methyl-2-[3-[(4-phenylmethoxyphenoxy)methyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]propanenitrile Traditional Name: 2-[3-[(4-benzoxyphenoxy)methyl]-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propionitrile Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1)COC2=CC=C(C=C2)OCC3=CC=CC=C3)CN4C=NC=N4

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC(=C1)COC2=CC=C(C=C2)OCC3=CC=CC=C3)CN4C=NC=N4

InChI

InChI=1S/C27H26N4O2/c1-27(2,18-28)24-13-22(15-31-20-29-19-30-31)12-23(14-24)17-33-26-10-8-25(9-11-26)32-16-21-6-4-3-5-7-21/h3-14,19-20H,15-17H2,1-2H3