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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26ClN3O2
Molecular Weight 375.892
Optical Activity ( - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZAMIDE, 4-AMINO-5-CHLORO-N-((3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL)-2-(((1S)-1-METHYL-2-BUTYN-1-YL)OXY)-

SMILES

CC#C[C@H](C)OC1=C(C=C(Cl)C(N)=C1)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C

InChI

InChIKey=RPFBSCLXMNVMRP-XQLPTFJDSA-N
InChI=1S/C20H26ClN3O2/c1-4-5-12(2)26-19-11-18(22)17(21)10-16(19)20(25)23-13-8-14-6-7-15(9-13)24(14)3/h10-15H,6-9,22H2,1-3H3,(H,23,25)/t12-,13-,14+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H26ClN3O2
Molecular Weight 375.892
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 12:36:26 UTC 2019
Edited
by admin
on Tue Oct 22 12:36:26 UTC 2019
Record UNII
VFA59J8C89
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZAMIDE, 4-AMINO-5-CHLORO-N-((3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL)-2-(((1S)-1-METHYL-2-BUTYN-1-YL)OXY)-
Systematic Name English
Code System Code Type Description
CAS
151213-85-3
Created by admin on Tue Oct 22 12:36:26 UTC 2019 , Edited by admin on Tue Oct 22 12:36:26 UTC 2019
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
TARGET -> AGONIST