7-fluoranyl-5-[4-(2-methylpropoxy)phenyl]-2-pyridin-4-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-fluoranyl-5-[4-(2-methylpropoxy)phenyl]-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-fluoro-5-(4-isobutoxyphenyl)-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-5-[4-(2-methylpropoxy)phenyl]-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-5-[4-(2-methylpropoxy)phenyl]-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-5-(4-isobutoxyphenyl)-2-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C23H21FN4O MolecularWeight: 388.437443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)F

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)F

InChI

InChI=1S/C23H21FN4O/c1-15(2)14-29-19-6-3-16(4-7-19)22-20-13-18(24)5-8-21(20)26-23(28-27-22)17-9-11-25-12-10-17/h3-13,15,27H,14H2,1-2H3