U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H23F6N5O2
Molecular Weight 539.4728
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCH-900978

SMILES

C[C@@H](OC[C@]1(CC[C@](CN1)(C#N)N2C=NNC2=O)C3=CC=CC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChIKey=ACZWFJDLNLZWDP-ZGNKEGEESA-N
InChI=1S/C25H23F6N5O2/c1-16(17-9-19(24(26,27)28)11-20(10-17)25(29,30)31)38-14-23(18-5-3-2-4-6-18)8-7-22(12-32,13-33-23)36-15-34-35-21(36)37/h2-6,9-11,15-16,33H,7-8,13-14H2,1H3,(H,35,37)/t16-,22-,23-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SCH-900978
Code English
3-PIPERIDINECARBONITRILE, 6-(((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)METHYL)-3-(1,5-DIHYDRO-5-OXO-4H-1,2,4-TRIAZOL-4-YL)-6-PHENYL-, (3S,6S)-
Systematic Name English
SCH900978
Code English
Code System Code Type Description
FDA UNII
Q2B1Q52A8J
Created by admin on Sat Dec 16 19:07:56 GMT 2023 , Edited by admin on Sat Dec 16 19:07:56 GMT 2023
PRIMARY
CAS
873947-10-5
Created by admin on Sat Dec 16 19:07:56 GMT 2023 , Edited by admin on Sat Dec 16 19:07:56 GMT 2023
PRIMARY
SMS_ID
300000042450
Created by admin on Sat Dec 16 19:07:56 GMT 2023 , Edited by admin on Sat Dec 16 19:07:56 GMT 2023
PRIMARY
PUBCHEM
11671080
Created by admin on Sat Dec 16 19:07:56 GMT 2023 , Edited by admin on Sat Dec 16 19:07:56 GMT 2023
PRIMARY