2,5-bis(3,4-dimethoxyphenyl)-7-fluoranyl-4H-1,3,4-benzotriazepine

Systemtic Name: 2,5-bis(3,4-dimethoxyphenyl)-7-fluoranyl-4H-1,3,4-benzotriazepine Openeye Name: 2,5-bis(3,4-dimethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine CAS Name: 2,5-bis(3,4-dimethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine IUPAC Name: 2,5-bis(3,4-dimethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine Traditional Name: 2,5-bis(3,4-dimethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine Formula: C24H22FN3O4 MolecularWeight: 435.447583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC(=C(C=C4)OC)OC)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC(=C(C=C4)OC)OC)F)OC

InChI

InChI=1S/C24H22FN3O4/c1-29-19-9-5-14(11-21(19)31-3)23-17-13-16(25)7-8-18(17)26-24(28-27-23)15-6-10-20(30-2)22(12-15)32-4/h5-13,27H,1-4H3