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

Systemtic Name: 5-azanyl-1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-N-(3-methoxyphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(3-methoxyphenyl)triazole-4-carboxamide CAS Name: 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(3-methoxyphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(3-methoxyphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(4-bromo-2-fluoro-benzyl)-N-(3-methoxyphenyl)triazole-4-carboxamide Formula: C17H15BrFN5O2 MolecularWeight: 420.235703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)Br)F)N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)Br)F)N

InChI

InChI=1S/C17H15BrFN5O2/c1-26-13-4-2-3-12(8-13)21-17(25)15-16(20)24(23-22-15)9-10-5-6-11(18)7-14(10)19/h2-8H,9,20H2,1H3,(H,21,25)