7-bromanyl-2-(4-ethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine

Systemtic Name: 7-bromanyl-2-(4-ethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-2-(4-ethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-(4-ethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-(4-ethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-5-[4-(4-methoxyphenyl)phenyl]-2-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C29H24BrN3O2 MolecularWeight: 526.42376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H24BrN3O2/c1-3-35-25-15-10-22(11-16-25)29-31-27-17-12-23(30)18-26(27)28(32-33-29)21-6-4-19(5-7-21)20-8-13-24(34-2)14-9-20/h4-18,32H,3H2,1-2H3