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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21N3O
Molecular Weight 295.3788
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-688057

SMILES

C[C@@H]1CCCN1CCC2=CC3=CC(=CC=C3O2)C4=CNN=C4

InChI

InChIKey=DATDVQKGDSNVRT-CYBMUJFWSA-N
InChI=1S/C18H21N3O/c1-13-3-2-7-21(13)8-6-17-10-15-9-14(4-5-18(15)22-17)16-11-19-20-12-16/h4-5,9-13H,2-3,6-8H2,1H3,(H,19,20)/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H21N3O
Molecular Weight 295.3788
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:42:21 GMT 2023
Edited
by admin
on Sat Dec 16 09:42:21 GMT 2023
Record UNII
JL0R030ML5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-688057
Common Name English
1H-PYRAZOLE, 4-(2-(2-((2R)-2-METHYL-1-PYRROLIDINYL)ETHYL)-5-BENZOFURANYL)-
Systematic Name English
Code System Code Type Description
CAS
460748-95-2
Created by admin on Sat Dec 16 09:42:21 GMT 2023 , Edited by admin on Sat Dec 16 09:42:21 GMT 2023
PRIMARY
PUBCHEM
9814674
Created by admin on Sat Dec 16 09:42:21 GMT 2023 , Edited by admin on Sat Dec 16 09:42:21 GMT 2023
PRIMARY
FDA UNII
JL0R030ML5
Created by admin on Sat Dec 16 09:42:21 GMT 2023 , Edited by admin on Sat Dec 16 09:42:21 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY