2-(2-ethoxyphenyl)-4-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

Systemtic Name: 2-(2-ethoxyphenyl)-4-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Openeye Name: 2-(2-ethoxyphenyl)-4-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile CAS Name: 2-(2-ethoxyphenyl)-4-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile IUPAC Name: 2-(2-ethoxyphenyl)-4-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Traditional Name: 4-(4-fluorophenyl)-2-o-phenetyl-2-(1,2,4-triazol-1-ylmethyl)butyronitrile Formula: C21H21FN4O MolecularWeight: 364.416043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(CCC2=CC=C(C=C2)F)(CN3C=NC=N3)C#N

Isomeric SMILES

CCOC1=CC=CC=C1C(CCC2=CC=C(C=C2)F)(CN3C=NC=N3)C#N

InChI

InChI=1S/C21H21FN4O/c1-2-27-20-6-4-3-5-19(20)21(13-23,14-26-16-24-15-25-26)12-11-17-7-9-18(22)10-8-17/h3-10,15-16H,2,11-12,14H2,1H3