5-(4-butoxyphenyl)-7-fluoranyl-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-7-fluoranyl-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-fluoro-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-fluoro-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-fluoro-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-fluoro-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C25H24FN3O MolecularWeight: 401.475963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)C)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)C)F

InChI

InChI=1S/C25H24FN3O/c1-3-4-15-30-21-12-9-18(10-13-21)24-22-16-20(26)11-14-23(22)27-25(29-28-24)19-7-5-17(2)6-8-19/h5-14,16,28H,3-4,15H2,1-2H3