2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,3-triazol-1-yl]ethyl benzoate

Systemtic Name: 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,3-triazol-1-yl]ethyl benzoate Openeye Name: 2-[4-(4-fluorophenyl)-5-(4-pyridyl)triazol-1-yl]ethyl benzoate CAS Name: benzoic acid 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1-triazolyl]ethyl ester IUPAC Name: 2-[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]ethyl benzoate Traditional Name: benzoic acid 2-[4-(4-fluorophenyl)-5-(4-pyridyl)triazol-1-yl]ethyl ester Formula: C22H17FN4O2 MolecularWeight: 388.394383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCN2C(=C(N=N2)C3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCN2C(=C(N=N2)C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C22H17FN4O2/c23-19-8-6-16(7-9-19)20-21(17-10-12-24-13-11-17)27(26-25-20)14-15-29-22(28)18-4-2-1-3-5-18/h1-13H,14-15H2