5-(3,4-diethoxyphenyl)-7-fluoranyl-2-phenyl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3,4-diethoxyphenyl)-7-fluoranyl-2-phenyl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-diethoxyphenyl)-7-fluoro-2-phenyl-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-diethoxyphenyl)-7-fluoro-2-phenyl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-diethoxyphenyl)-7-fluoro-2-phenyl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-diethoxyphenyl)-7-fluoro-2-phenyl-4H-1,3,4-benzotriazepine Formula: C24H22FN3O2 MolecularWeight: 403.448783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CC=C4)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CC=C4)F)OCC

InChI

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