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(1R,5S)-7-[4-(2-fluorophenyl)phenyl]-N-propyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide

PropertiesImage
MNX_IDMNXM169777 Image of MNXM169777
referencechebi:131135
formulaC21H24FN3O
global charge0
mol weight353.441
InChIKeyJAVNOTHTDHPKGP-YOFSQIOKSA-N
InChIInChI=1S/C21H24FN3O/c1-2-11-24-21(26)25-18-12-23-13-19(25)20(18)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-20,23H,2,11-13H2,1H3,(H,24,26)/t18-,19+,20?
SMILESCCCNC(=O)N1[C@@H]2CNC[C@H]1C2C1=CC=C(C2=CC=CC=C2F)C=C1
MNX internals
InChI (mnx)InChI=1/C21H24FN3O/c1-2-11-24-21(26)25-18-12-23-13-19(25)20(18)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-20,23H,2,11-13H2,1H3,(H,24,26)/t18-,19+,20? Image of MNXM169777
SMILES (mnx)[CH3:1][CH2:2][CH2:11][N:24]=[C:21]([N:25]1[C@H:18]2[CH2:12][NH:23][CH2:13][C@@H:19]1[CH:20]2[C:15]1=[CH:10][CH:8]=[C:14]([C:16]2=[CH:5][CH:3]=[CH:4][CH:6]=[C:17]2[F:22])[CH:7]=[CH:9]1)[OH:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:131135
chebi:131135
JAVNOTHTDHPKGP-YOFSQIOKSA-N
(1R,5S)-7-[4-(2-fluorophenyl)phenyl]-N-propyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide