7-bromanyl-2-(4-fluorophenyl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-bromanyl-2-(4-fluorophenyl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-2-(4-fluorophenyl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-(4-fluorophenyl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-(4-fluorophenyl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-2-(4-fluorophenyl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C21H15BrFN3O MolecularWeight: 424.265703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)F)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)F)Br

InChI

InChI=1S/C21H15BrFN3O/c1-27-17-9-4-13(5-10-17)20-18-12-15(22)6-11-19(18)24-21(26-25-20)14-2-7-16(23)8-3-14/h2-12,25H,1H3