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

Systemtic Name: 5-azanyl-1-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-(2,4-dimethoxyphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(5-bromo-2-methoxy-phenyl)methyl]-N-(2,4-dimethoxyphenyl)triazole-4-carboxamide CAS Name: 5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(5-bromo-2-methoxy-benzyl)-N-(2,4-dimethoxyphenyl)triazole-4-carboxamide Formula: C19H20BrN5O4 MolecularWeight: 462.2972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN5O4/c1-27-13-5-6-14(16(9-13)29-3)22-19(26)17-18(21)25(24-23-17)10-11-8-12(20)4-7-15(11)28-2/h4-9H,10,21H2,1-3H3,(H,22,26)