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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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