2-(4-bromophenyl)-7-fluoranyl-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-7-fluoranyl-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-7-fluoro-5-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-7-fluoro-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-7-fluoro-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-fluoro-5-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C21H15BrFN3 MolecularWeight: 408.266303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)F

InChI

InChI=1S/C21H15BrFN3/c1-13-2-4-14(5-3-13)20-18-12-17(23)10-11-19(18)24-21(26-25-20)15-6-8-16(22)9-7-15/h2-12,25H,1H3