benzotriazol-1-yl-(5-bromanyl-2-phenethyloxy-phenyl)methanone

Systemtic Name: benzotriazol-1-yl-(5-bromanyl-2-phenethyloxy-phenyl)methanone Openeye Name: benzotriazol-1-yl-(5-bromo-2-phenethyloxy-phenyl)methanone CAS Name: 1-benzotriazolyl-(5-bromo-2-phenethyloxyphenyl)methanone IUPAC Name: benzotriazol-1-yl-(5-bromo-2-phenethyloxyphenyl)methanone Traditional Name: benzotriazol-1-yl-(5-bromo-2-phenethyloxy-phenyl)methanone Formula: C21H16BrN3O2 MolecularWeight: 422.27464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H16BrN3O2/c22-16-10-11-20(27-13-12-15-6-2-1-3-7-15)17(14-16)21(26)25-19-9-5-4-8-18(19)23-24-25/h1-11,14H,12-13H2