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

Systemtic Name: 2-(4-fluorophenyl)-7-methoxy-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-fluorophenyl)-7-methoxy-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine CAS Name: 2-(4-fluorophenyl)-7-methoxy-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-fluorophenyl)-7-methoxy-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-fluorophenyl)-7-methoxy-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Formula: C28H22FN3O2 MolecularWeight: 451.491583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=C(C=CC4=NC(=NN3)C5=CC=C(C=C5)F)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=C(C=CC4=NC(=NN3)C5=CC=C(C=C5)F)OC

InChI

InChI=1S/C28H22FN3O2/c1-33-23-13-9-19(10-14-23)18-3-5-20(6-4-18)27-25-17-24(34-2)15-16-26(25)30-28(32-31-27)21-7-11-22(29)12-8-21/h3-17,31H,1-2H3