N-[3-[1-[2-(8-Chloro-6-Oxo-5H-Pyrido[2,3-b][1,4]Benzodiazepin-11-Yl)-2-Oxoethyl]Piperidin-4-Yl]Propyl]-N-Ethyl-2,2-Dimethylpentanamide
[CAS# 145301-48-0]

Identification

• Name: N-[3-[1-[2-(8-Chloro-6-Oxo-5H-Pyrido[2,3-b][1,4]Benzodiazepin-11-Yl)-2-Oxoethyl]Piperidin-4-Yl]Propyl]-N-Ethyl-2,2-Dimethylpentanamide
• Synonyms: N-[3-[1-[2-(8-Chloro-6-Oxo-5H-Pyrido[2,3-B][1,4]Benzodiazepin-11-Yl)-2-Oxo-Ethyl]-4-Piperidyl]Propyl]-N-Ethyl-2,2-Dimethyl-Pentanamide; N-[3-[1-[2-(8-Chloro-6-Oxo-5H-Pyrido[2,3-B][1,4]Benzodiazepin-11-Yl)-2-Oxoethyl]-4-Piperidinyl]Propyl]-N-Ethyl-2,2-Dimethylpentanamide; N-[3-[1-[2-(8-Chloro-6-Keto-5H-Pyrido[2,3-B][1,4]Benzodiazepin-11-Yl)-2-Keto-Ethyl]-4-Piperidyl]Propyl]-N-Ethyl-2,2-Dimethyl-Valeramide
• Molecular Formula: C₃₁H₄₂ClN₅O₃
• Molecular Weight: 568.16
• CAS Registry Number: 145301-48-0
• SMILES: C1=CC(=CC2=C1N(C3=C(NC2=O)C=CC=N3)C(=O)CN4CCC(CC4)CCCN(C(=O)C(CCC)(C)C)CC)Cl
• InChI: 1S/C31H42ClN5O3/c1-5-15-31(3,4)30(40)36(6-2)17-8-9-22-13-18-35(19-14-22)21-27(38)37-26-12-11-23(32)20-24(26)29(39)34-25-10-7-16-33-28(25)37/h7,10-12,16,20,22H,5-6,8-9,13-15,17-19,21H2,1-4H3,(H,34,39)
• InChIKey: LUPAFPUKESJDMZ-UHFFFAOYSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 709.846°C at 760 mmHg (Cal.)
• Flash point: 383.101°C (Cal.)