| Properties | Image |
MNX_ID | MNXM340808 |
 |
reference | chebi:115716 |
formula | C22H17ClFN3O |
global charge | 0 |
mol weight | 393.849 |
InChIKey | HVFWLCCZBLOLKI-UHFFFAOYSA-N |
InChI | InChI=1S/C22H17ClFN3O/c1-15-9-10-27-20(13-25-28-14-16-3-2-4-19(24)12-16)22(26-21(27)11-15)17-5-7-18(23)8-6-17/h2-13H,14H2,1H3 |
SMILES | CC1=CC2=NC(C3=CC=C(Cl)C=C3)=C(C=NOCC3=CC(F)=CC=C3)N2C=C1 |
MNX internals
InChI (mnx) | InChI=1/C22H17ClFN3O/c1-15-9-10-27-20(13-25-28-14-16-3-2-4-19(24)12-16)22(26-21(27)11-15)17-5-7-18(23)8-6-17/h2-13H,14H2,1H3/b25-13? |
 |
SMILES (mnx) | [CH3:1][C:15]1=[CH:11][C:21]2=[N:26][C:22]([C:17]3=[CH:6][CH:8]=[C:18]([Cl:23])[CH:7]=[CH:5]3)=[C:20]([CH:13]=[N:25][O:28][CH2:14][C:16]3=[CH:12][C:19]([F:24])=[CH:4][CH:2]=[CH:3]3)[N:27]2[CH:10]=[CH:9]1 |
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