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

Systemtic Name: 5-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-bromo-2-fluoro-phenyl)methyl]triazole-4-carboxamide CAS Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-bromo-2-fluorophenyl)methyl]-4-triazolecarboxamide IUPAC Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-bromo-2-fluorophenyl)methyl]triazole-4-carboxamide Traditional Name: 5-amino-1-(4-bromo-2-fluoro-benzyl)-N-piperonyl-triazole-4-carboxamide Formula: C18H15BrFN5O3 MolecularWeight: 448.245803

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(N=N3)CC4=C(C=C(C=C4)Br)F)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(N=N3)CC4=C(C=C(C=C4)Br)F)N

InChI

InChI=1S/C18H15BrFN5O3/c19-12-3-2-11(13(20)6-12)8-25-17(21)16(23-24-25)18(26)22-7-10-1-4-14-15(5-10)28-9-27-14/h1-6H,7-9,21H2,(H,22,26)