U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry RACEMIC
Molecular Formula C39H37F6N3O3
Molecular Weight 709.7198
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2,2,2-TRIFLUORO-1-HYDROXY-ETHYL)-9-(4-(4-((2-(4-(TRIFLUOROMETHYL)PHENYL)BENZOYL)AMINO)-1-PIPERIDYL)BUTYL)FLUORENE-9-CARBOXAMIDE

SMILES

OC(NC(=O)C4(CCCCN1CCC(CC1)NC(=O)C2=C(C=CC=C2)C3=CC=C(C=C3)C(F)(F)F)C5=CC=CC=C5C6=C4C=CC=C6)C(F)(F)F

InChI

InChIKey=JXTABLIVJWNBHC-UHFFFAOYSA-N
InChI=1S/C39H37F6N3O3/c40-38(41,42)26-17-15-25(16-18-26)28-9-1-2-12-31(28)34(49)46-27-19-23-48(24-20-27)22-8-7-21-37(35(50)47-36(51)39(43,44)45)32-13-5-3-10-29(32)30-11-4-6-14-33(30)37/h1-6,9-18,27,36,51H,7-8,19-24H2,(H,46,49)(H,47,50)

HIDE SMILES / InChI

Molecular Formula C40H39F6N3O2
Molecular Weight 707.747
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
KY1OR91VGJ
Record Status Validated (UNII)
Record Version