5-(4-butoxyphenyl)-2-(4-fluorophenyl)-7-methyl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-2-(4-fluorophenyl)-7-methyl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(4-fluorophenyl)-7-methyl-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-(4-fluorophenyl)-7-methyl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-(4-fluorophenyl)-7-methyl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(4-fluorophenyl)-7-methyl-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)F)C

Isomeric SMILES

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

InChI

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