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

Systemtic Name: 5-azanyl-1-[(3-bromophenyl)methyl]-N-(3,5-dimethoxyphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(3-bromophenyl)methyl]-N-(3,5-dimethoxyphenyl)triazole-4-carboxamide CAS Name: 5-amino-1-[(3-bromophenyl)methyl]-N-(3,5-dimethoxyphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(3-bromophenyl)methyl]-N-(3,5-dimethoxyphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(3-bromobenzyl)-N-(3,5-dimethoxyphenyl)triazole-4-carboxamide Formula: C18H18BrN5O3 MolecularWeight: 432.27122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN5O3/c1-26-14-7-13(8-15(9-14)27-2)21-18(25)16-17(20)24(23-22-16)10-11-4-3-5-12(19)6-11/h3-9H,10,20H2,1-2H3,(H,21,25)