2-(3,4-dimethoxyphenyl)-8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 2-(3,4-dimethoxyphenyl)-8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine Openeye Name: 2-(3,4-dimethoxyphenyl)-8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(3,4-dimethoxyphenyl)-8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 2-(3,4-dimethoxyphenyl)-8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine Traditional Name: 2-(3,4-dimethoxyphenyl)-8-ethyl-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine Formula: C24H22FN3O2 MolecularWeight: 403.448783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H22FN3O2/c1-4-15-5-11-19-20(13-15)27-24(17-8-12-21(29-2)22(14-17)30-3)28-23(26-19)16-6-9-18(25)10-7-16/h5-14H,4H2,1-3H3,(H,26,27,28)