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LSM-3515

PropertiesImage
MNX_IDMNXM529805 Image of MNXM529805
referencechebi:93188
formulaC21H17F2N3O2
global charge0
mol weight381.382
InChIKeyZEOYXGWHTZKZQP-QGZVFWFLSA-N
InChIInChI=1S/C21H17F2N3O2/c1-21(2)18-13(12-5-3-4-6-15(12)24-18)10-17-19(27)25(20(28)26(17)21)16-8-7-11(22)9-14(16)23/h3-9,17,24H,10H2,1-2H3/t17-/m1/s1
SMILESCC1(C)C2=C(C[C@@H]3C(=O)N(C4=C(F)C=C(F)C=C4)C(=O)N31)C1=CC=CC=C1N2
MNX internals
InChI (mnx)InChI=1/C21H17F2N3O2/c1-21(2)18-13(12-5-3-4-6-15(12)24-18)10-17-19(27)25(20(28)26(17)21)16-8-7-11(22)9-14(16)23/h3-9,17,24H,10H2,1-2H3/t17-/m1/s1 Image of MNXM529805
SMILES (mnx)[CH3:1][C:21]1([CH3:2])[C:18]2=[C:13]([CH2:10][C@@H:17]3[C:19](=[O:27])[N:25]([C:16]4=[C:14]([F:23])[CH:9]=[C:11]([F:22])[CH:7]=[CH:8]4)[C:20](=[O:28])[N:26]31)[C:12]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:15]1[NH:24]2
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:93188
chebi:93188
ZEOYXGWHTZKZQP-QGZVFWFLSA-N 		LSM-3515