2-[(8-Fluoro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione
[CAS# 94030-97-4]

Identification

• Name: 2-[(8-Fluoro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione
• Synonyms: 2-[(8-fluoro-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione
• Molecular Formula: C₂₅H₂₀FN₃O₂
• Molecular Weight: 413.44
• CAS Registry Number: 94030-97-4
• EINECS: 301-702-2
• SMILES: O=C5c1ccccc1C(=O)N5CC3CN=C(c2ccc(F)cc2N3C)c4ccccc4
• InChI: 1S/C25H20FN3O2/c1-28-18(15-29-24(30)19-9-5-6-10-20(19)25(29)31)14-27-23(16-7-3-2-4-8-16)21-12-11-17(26)13-22(21)28/h2-13,18H,14-15H2,1H3
• InChIKey: QTTOVYJPLUFODL-UHFFFAOYSA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 562.416°C at 760 mmHg (Cal.)
• Flash point: 293.939°C (Cal.)