(3R)-N-[(1R)-1-[(4-Chlorophenyl)methyl]-2-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

CAS Registry Number®

312637-48-2
No image available.

CAS Name

(3R)-N-[(1R)-1-[(4-Chlorophenyl)methyl]-2-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

Molecular Formula

C33H41ClN6O2

Molecular Mass

589.17

Cite this Page

(3R)-N-[(1R)-1-[(4-Chlorophenyl)methyl]-2-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=312637-48-2 (retrieved 2024-05-04) (CAS RN: 312637-48-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=HLCHESOMJVGDSJ-LOYHVIPDSA-N

SMILES

C(C1(CCN(C([C@@H](CC2=CC=C(Cl)C=C2)NC(=O)[C@H]3CC=4C(CN3)=CC=CC4)=O)CC1)C5CCCCC5)N6C=NC=N6

Canonical SMILES

O=C(NC(C(=O)N1CCC(CN2N=CN=C2)(CC1)C3CCCCC3)CC4=CC=C(Cl)C=C4)C5NCC=6C=CC=CC6C5

Other Names for this Substance

  • 3-Isoquinolinecarboxamide, N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-, (3R)-
  • (3R)-N-[(1R)-1-[(4-Chlorophenyl)methyl]-2-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
  • THIQ

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser