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

Systemtic Name: 8-fluoranyl-2-[4-(2-methylpropoxy)phenyl]-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-fluoro-2-(4-isobutoxyphenyl)-4-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-fluoro-2-[4-(2-methylpropoxy)phenyl]-4-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-fluoro-2-[4-(2-methylpropoxy)phenyl]-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-fluoro-2-(4-isobutoxyphenyl)-4-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C23H21FN4O MolecularWeight: 388.437443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)F)C4=CC=NC=C4

InChI

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