1-[(2-fluorophenyl)methyl]-N-(3-imidazol-1-ylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(2-fluorophenyl)methyl]-N-(3-imidazol-1-ylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(2-fluorophenyl)methyl]-N-(3-imidazol-1-ylpropyl)triazole-4-carboxamide CAS Name: 1-[(2-fluorophenyl)methyl]-N-[3-(1-imidazolyl)propyl]-4-triazolecarboxamide IUPAC Name: 1-[(2-fluorophenyl)methyl]-N-(3-imidazol-1-ylpropyl)triazole-4-carboxamide Traditional Name: 1-(2-fluorobenzyl)-N-(3-imidazol-1-ylpropyl)triazole-4-carboxamide Formula: C16H17FN6O MolecularWeight: 328.344183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(N=N2)C(=O)NCCCN3C=CN=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(N=N2)C(=O)NCCCN3C=CN=C3)F

InChI

InChI=1S/C16H17FN6O/c17-14-5-2-1-4-13(14)10-23-11-15(20-21-23)16(24)19-6-3-8-22-9-7-18-12-22/h1-2,4-5,7,9,11-12H,3,6,8,10H2,(H,19,24)