N-[(4-Phenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-2-yl)methyl]benzamide
[CAS# 87474-36-0]

Identification

• Name: N-[(4-Phenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-2-yl)methyl]benzamide
• Synonyms: 2-Benzoylaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine; Benzamide, N-((2,3,4,5-tetrahydro-4-phenyl-1H-pyrido(2,3-b)(1,4)diazepin-2-yl)methyl)-
• Molecular Formula: C₂₂H₂₂N₄O
• Molecular Weight: 358.44
• CAS Registry Number: 87474-36-0
• SMILES: O=C(c1ccccc1)NCC4Nc2c(nccc2)NC(c3ccccc3)C4
• InChI: 1S/C22H22N4O/c27-22(17-10-5-2-6-11-17)24-15-18-14-20(16-8-3-1-4-9-16)26-21-19(25-18)12-7-13-23-21/h1-13,18,20,25H,14-15H2,(H,23,26)(H,24,27)
• InChIKey: XJAGCMDWTWIOBB-UHFFFAOYSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Boiling point: 651.13°C at 760 mmHg (Cal.)
• Flash point: 347.591°C (Cal.)