Terminology Service for NFDI4Health

1-benzoyl-N-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-2-methyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide

Go to external page http://purl.obolibrary.org/obo/CHEBI_109719


Term info

Label

1-benzoyl-N-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-2-methyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide

database cross reference
Subsets

2_STAR

charge

0

formula

C27H30ClF3N4O2

has obo namespace

chebi_ontology

id

CHEBI:109719

inchi

InChI=1S/C27H30ClF3N4O2/c1-25(24(37)33-16-8-15-32-22-21(28)17-20(18-34-22)27(29,30)31)13-14-26(11-6-3-7-12-26)35(25)23(36)19-9-4-2-5-10-19/h2,4-5,9-10,13-14,17-18H,3,6-8,11-12,15-16H2,1H3,(H,32,34)(H,33,37)

inchikey

XDRZVQDEWUNICW-UHFFFAOYSA-N

mass

535.002

monoisotopicmass

534.20094

smiles

CC1(C=CC2(N1C(=O)C3=CC=CC=C3)CCCCC2)C(=O)NCCCNC4=C(C=C(C=N4)C(F)(F)F)Cl