3-Phenyl-2-oxo-5-(2-(4-methylpiperazin-1-yl)acetyl)-1H-tetrahydropyrido[2,3-b][1,4]diazepine
[CAS# 90059-52-2]

Identification

• Name: 3-Phenyl-2-oxo-5-(2-(4-methylpiperazin-1-yl)acetyl)-1H-tetrahydropyrido[2,3-b][1,4]diazepine
• Synonyms: 5-[2-(4-Methyl-1-Piperazinyl)-1-Oxoethyl]-3-Phenyl-3,4-Dihydro-1H-Pyrido[2,3-B][1,4]Diazepin-2-One; 5-[2-(4-Methylpiperazin-1-Yl)Ethanoyl]-3-Phenyl-3,4-Dihydro-1H-Pyrido[2,3-B][1,4]Diazepin-2-One; 2H-Pyrido(2,3-B)(1,4)Diazepin-2-One, 1,3,4,5-Tetrahydro-5-((
• Molecular Formula: C₂₁H₂₅N₅O₂
• Molecular Weight: 379.46
• CAS Registry Number: 90059-52-2
• SMILES: C2=C1NC(=O)C(CN(C1=NC=C2)C(=O)CN3CCN(CC3)C)C4=CC=CC=C4
• InChI: 1S/C21H25N5O2/c1-24-10-12-25(13-11-24)15-19(27)26-14-17(16-6-3-2-4-7-16)21(28)23-18-8-5-9-22-20(18)26/h2-9,17H,10-15H2,1H3,(H,23,28)
• InChIKey: KSVBQSJCJGTGAZ-UHFFFAOYSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 658.172°C at 760 mmHg (Cal.)
• Flash point: 351.85°C (Cal.)