7-bromanyl-2-(4-tert-butylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-bromanyl-2-(4-tert-butylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-2-(4-tert-butylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-(4-tert-butylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-(4-tert-butylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-2-(4-tert-butylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Formula: C24H21BrN4O2 MolecularWeight: 477.35314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21BrN4O2/c1-24(2,3)17-8-4-16(5-9-17)23-26-21-13-10-18(25)14-20(21)22(27-28-23)15-6-11-19(12-7-15)29(30)31/h4-14,27H,1-3H3