2-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-fluorophenyl)-7-methoxy-5-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-fluorophenyl)-7-methoxy-5-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C22H18FN3O MolecularWeight: 359.396223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)F)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C22H18FN3O/c1-14-3-5-15(6-4-14)21-19-13-18(27-2)11-12-20(19)24-22(26-25-21)16-7-9-17(23)10-8-16/h3-13,25H,1-2H3