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Details

Stereochemistry RACEMIC
Molecular Formula C20H23F2N3O
Molecular Weight 359.4129
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPYRAZAM, SYN-(±)-

SMILES

CC(C)[C@H]1[C@H]2CC[C@@H]1C3=C(NC(=O)C4=CN(C)N=C4C(F)F)C=CC=C23

InChI

InChIKey=XTDZGXBTXBEZDN-HEHGZKQESA-N
InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)/t12-,13-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H23F2N3O
Molecular Weight 359.4129
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:49:27 GMT 2023
Edited
by admin
on Sat Dec 16 08:49:27 GMT 2023
Record UNII
6AS41WUE4L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPYRAZAM, SYN-(±)-
Common Name English
SYN-ISOPYRAZAM [MI]
Common Name English
ISOPYRAZAM, SYN-(1RS,4SR,9RS)-
Common Name English
SYN534969
Code English
1H-PYRAZOLE-4-CARBOXAMIDE, 3-(DIFLUOROMETHYL)-1-METHYL-N-((1R,4S,9R)-1,2,3,4-TETRAHYDRO-9-(1-METHYLETHYL)-1,4-METHANONAPHTHALEN-5-YL)-, REL-
Systematic Name English
Code System Code Type Description
FDA UNII
6AS41WUE4L
Created by admin on Sat Dec 16 08:49:27 GMT 2023 , Edited by admin on Sat Dec 16 08:49:27 GMT 2023
PRIMARY
MERCK INDEX
m11768
Created by admin on Sat Dec 16 08:49:27 GMT 2023 , Edited by admin on Sat Dec 16 08:49:27 GMT 2023
PRIMARY
PUBCHEM
58079280
Created by admin on Sat Dec 16 08:49:27 GMT 2023 , Edited by admin on Sat Dec 16 08:49:27 GMT 2023
PRIMARY
CAS
683777-13-1
Created by admin on Sat Dec 16 08:49:27 GMT 2023 , Edited by admin on Sat Dec 16 08:49:27 GMT 2023
PRIMARY