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

Systemtic Name: 5-azanyl-1-[(3-bromanyl-4-methoxy-phenyl)methyl]-N-(3-methylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(3-bromo-4-methoxy-phenyl)methyl]-N-(m-tolyl)triazole-4-carboxamide CAS Name: 5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(3-methylphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(3-methylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(3-bromo-4-methoxy-benzyl)-N-(m-tolyl)triazole-4-carboxamide Formula: C18H18BrN5O2 MolecularWeight: 416.27182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN5O2/c1-11-4-3-5-13(8-11)21-18(25)16-17(20)24(23-22-16)10-12-6-7-15(26-2)14(19)9-12/h3-9H,10,20H2,1-2H3,(H,21,25)