6-phenoxy-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

Systemtic Name: 6-phenoxy-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Openeye Name: 6-phenoxy-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile CAS Name: 6-phenoxy-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC Name: 6-phenoxy-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Traditional Name: 6-phenoxy-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCCOC2=CC=CC=C2)(CN3C=NC=N3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CCCCOC2=CC=CC=C2)(CN3C=NC=N3)C#N

InChI

InChI=1S/C21H22N4O/c22-15-21(16-25-18-23-17-24-25,19-9-3-1-4-10-19)13-7-8-14-26-20-11-5-2-6-12-20/h1-6,9-12,17-18H,7-8,13-14,16H2