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

Systemtic Name: 5-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-bromophenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-bromophenyl)methyl]triazole-4-carboxamide CAS Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-bromophenyl)methyl]-4-triazolecarboxamide IUPAC Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-bromophenyl)methyl]triazole-4-carboxamide Traditional Name: 5-amino-1-(4-bromobenzyl)-N-piperonyl-triazole-4-carboxamide Formula: C18H16BrN5O3 MolecularWeight: 430.25534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5O3/c19-13-4-1-11(2-5-13)9-24-17(20)16(22-23-24)18(25)21-8-12-3-6-14-15(7-12)27-10-26-14/h1-7H,8-10,20H2,(H,21,25)