5-phenoxy-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile

Systemtic Name: 5-phenoxy-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile Openeye Name: 5-phenoxy-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile CAS Name: 5-phenoxy-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile IUPAC Name: 5-phenoxy-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile Traditional Name: 5-phenoxy-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)valeronitrile Formula: C20H20N4O MolecularWeight: 332.399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCOC2=CC=CC=C2)(CN3C=NC=N3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CCCOC2=CC=CC=C2)(CN3C=NC=N3)C#N

InChI

InChI=1S/C20H20N4O/c21-14-20(15-24-17-22-16-23-24,18-8-3-1-4-9-18)12-7-13-25-19-10-5-2-6-11-19/h1-6,8-11,16-17H,7,12-13,15H2