5-azanyl-1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-N-phenethyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-N-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-phenethyl-triazole-4-carboxamide CAS Name: 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-phenethyl-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-phenethyltriazole-4-carboxamide Traditional Name: 5-amino-1-(4-bromo-2-fluoro-benzyl)-N-phenethyl-triazole-4-carboxamide Formula: C18H17BrFN5O MolecularWeight: 418.262883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)Br)F)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)Br)F)N

InChI

InChI=1S/C18H17BrFN5O/c19-14-7-6-13(15(20)10-14)11-25-17(21)16(23-24-25)18(26)22-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11,21H2,(H,22,26)