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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)F)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)F)N

InChI

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