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

Systemtic Name: 5-azanyl-1-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-(2,3-dimethylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(5-bromo-2-methoxy-phenyl)methyl]-N-(2,3-dimethylphenyl)triazole-4-carboxamide CAS Name: 5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(2,3-dimethylphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(2,3-dimethylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(5-bromo-2-methoxy-benzyl)-N-(2,3-dimethylphenyl)triazole-4-carboxamide Formula: C19H20BrN5O2 MolecularWeight: 430.2984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=C(N(N=N2)CC3=C(C=CC(=C3)Br)OC)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=C(N(N=N2)CC3=C(C=CC(=C3)Br)OC)N)C

InChI

InChI=1S/C19H20BrN5O2/c1-11-5-4-6-15(12(11)2)22-19(26)17-18(21)25(24-23-17)10-13-9-14(20)7-8-16(13)27-3/h4-9H,10,21H2,1-3H3,(H,22,26)