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

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

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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=CC(=CC=C4)Br)N

Isomeric SMILES

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

InChI

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