N-[[6-(4-Fluorophenyl)-2-Methyl-2,5-Diazabicyclo[5.4.0]Undeca-5,7,9,11-Tetraen-3-Yl]Methyl]-4-Methoxy-Benzamide Hydrochloride
[CAS# 83736-75-8]

Identification

• Name: N-[[6-(4-Fluorophenyl)-2-Methyl-2,5-Diazabicyclo[5.4.0]Undeca-5,7,9,11-Tetraen-3-Yl]Methyl]-4-Methoxy-Benzamide Hydrochloride
• Synonyms: N-[[5-(4-Fluorophenyl)-1-Methyl-2,3-Dihydro-1,4-Benzodiazepin-2-Yl]Methyl]-4-Methoxy-Benzamide Hydrochloride; Benzamide, N-((5-(4-Fluorophenyl)-1-Methyl-2,3-Dihydro-1H-1,4-Benzodiazepin-2-Yl)Methyl)-4-Methoxy-, Monohydrochloride
• Molecular Formula: C₂₅H₂₅ClFN₃O₂
• Molecular Weight: 453.94
• CAS Registry Number: 83736-75-8
• SMILES: [H+].C1=C2C(=CC=C1)N(C(CN=C2C3=CC=C(F)C=C3)CNC(=O)C4=CC=C(OC)C=C4)C.[Cl-]
• InChI: 1S/C25H24FN3O2.ClH/c1-29-20(16-28-25(30)18-9-13-21(31-2)14-10-18)15-27-24(17-7-11-19(26)12-8-17)22-5-3-4-6-23(22)29;/h3-14,20H,15-16H2,1-2H3,(H,28,30);1H
• InChIKey: XZZUPVBPZZTWTL-UHFFFAOYSA-N

Properties

• Boiling point: 592.2°C at 760 mmHg (Cal.)
• Flash point: 311.9°C (Cal.)