2-(4-fluorophenyl)-5-(4-methoxyphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-fluorophenyl)-7-isopropyl-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-fluorophenyl)-7-isopropyl-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C24H22FN3O MolecularWeight: 387.449383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H22FN3O/c1-15(2)18-8-13-22-21(14-18)23(16-6-11-20(29-3)12-7-16)27-28-24(26-22)17-4-9-19(25)10-5-17/h4-15,27H,1-3H3