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

Systemtic Name: 8-methoxy-4-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine Openeye Name: 8-methoxy-4-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine CAS Name: 8-methoxy-4-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine IUPAC Name: 8-methoxy-4-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine Traditional Name: 8-methoxy-4-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine Formula: C23H18F3N3O2 MolecularWeight: 425.40313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC)NC(=N2)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC)NC(=N2)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H18F3N3O2/c1-30-17-8-6-14(7-9-17)21-27-19-11-10-18(31-2)13-20(19)28-22(29-21)15-4-3-5-16(12-15)23(24,25)26/h3-13H,1-2H3,(H,27,28,29)