(3R)-N-{(2R)-3-(4-Chlorophenyl)-1-[4-Cyclohexyl-4-(1H-1,2,4-Triazol-1-Ylmethyl)-1-Piperidinyl]-1-Oxo-2-Propanyl}-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxamide
[CAS# 312637-48-2]

Identification

• Name: (3R)-N-{(2R)-3-(4-Chlorophenyl)-1-[4-Cyclohexyl-4-(1H-1,2,4-Triazol-1-Ylmethyl)-1-Piperidinyl]-1-Oxo-2-Propanyl}-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxamide
• Synonyms: (R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-cyclohexyl-4-(3H-[1,2,4]triazol-1-ylmethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide; (R)-N-((R)-1-(4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpiperidin-1-yl)-3-(4-chlorophenyl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; [312637-48-2]
• Molecular Formula: C₃₃H₄₁ClN₆O₂
• Molecular Weight: 589.17
• CAS Registry Number: 312637-48-2
• SMILES: C1CCC(CC1)C2(CCN(CC2)C(=O)[C@@H](CC3=CC=C(C=C3)Cl)NC(=O)[C@H]4CC5=CC=CC=C5CN4)CN6C=NC=N6
• InChI: 1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
• InChIKey: HLCHESOMJVGDSJ-LOYHVIPDSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Refractive index: 1.677 (Cal.)
• solubility: Soluble to 10 mM in water