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

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-imidazol-1-ylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-N-(3-imidazol-1-ylpropyl)triazole-4-carboxamide CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-N-[3-(1-imidazolyl)propyl]-4-triazolecarboxamide IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-N-(3-imidazol-1-ylpropyl)triazole-4-carboxamide Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-N-(3-imidazol-1-ylpropyl)triazole-4-carboxamide Formula: C16H16ClFN6O MolecularWeight: 362.789243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Cl)CN2C=C(N=N2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC(=C(C=C1F)Cl)CN2C=C(N=N2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C16H16ClFN6O/c17-14-8-13(18)3-2-12(14)9-24-10-15(21-22-24)16(25)20-4-1-6-23-7-5-19-11-23/h2-3,5,7-8,10-11H,1,4,6,9H2,(H,20,25)