| Properties | Image |
MNX_ID | MNXM745695 |
 |
reference | chebi:139078 |
formula | C17H14F2N2 |
global charge | 0 |
mol weight | 284.309 |
InChIKey | NJZHEQOUHLZCOX-WWGRRREGSA-N |
InChI | InChI=1S/C17H14F2N2/c18-11-7-14-12-4-1-5-13(12)16(10-3-2-6-20-9-10)21-17(14)15(19)8-11/h1-4,6-9,12-13,16,21H,5H2/t12-,13+,16+/m1/s1 |
SMILES | FC1=CC(F)=C2N[C@@H](C3=CN=CC=C3)[C@H]3CC=C[C@H]3C2=C1 |
MNX internals
InChI (mnx) | InChI=1/C17H14F2N2/c18-11-7-14-12-4-1-5-13(12)16(10-3-2-6-20-9-10)21-17(14)15(19)8-11/h1-4,6-9,12-13,16,21H,5H2/t12-,13+,16+/m1/s1 |
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SMILES (mnx) | [CH:1]1=[CH:4][C@@H:12]2[C@H:13]([CH2:5]1)[C@H:16]([C:10]1=[CH:9][N:20]=[CH:6][CH:2]=[CH:3]1)[NH:21][C:17]1=[C:14]2[CH:7]=[C:11]([F:18])[CH:8]=[C:15]1[F:19] |
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