4-(benzotriazol-1-ylmethyl)-N-(4-bromanyl-2-methyl-phenyl)benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-(4-bromanyl-2-methyl-phenyl)benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-(4-bromo-2-methyl-phenyl)benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-(4-bromo-2-methylphenyl)benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-(4-bromo-2-methylphenyl)benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-(4-bromo-2-methyl-phenyl)benzamide Formula: C21H17BrN4O MolecularWeight: 421.28988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H17BrN4O/c1-14-12-17(22)10-11-18(14)23-21(27)16-8-6-15(7-9-16)13-26-20-5-3-2-4-19(20)24-25-26/h2-12H,13H2,1H3,(H,23,27)