2-(3,4-dimethoxyphenyl)-8-fluoranyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 2-(3,4-dimethoxyphenyl)-8-fluoranyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 2-(3,4-dimethoxyphenyl)-8-fluoro-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(3,4-dimethoxyphenyl)-8-fluoro-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 2-(3,4-dimethoxyphenyl)-8-fluoro-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 2-(3,4-dimethoxyphenyl)-8-fluoro-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Formula: C23H20FN3O3 MolecularWeight: 405.421603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20FN3O3/c1-28-17-8-4-14(5-9-17)22-25-18-10-7-16(24)13-19(18)26-23(27-22)15-6-11-20(29-2)21(12-15)30-3/h4-13H,1-3H3,(H,25,26,27)