| Properties | Image |
|---|
| MNX_ID | MNXM31461 |
 |
| reference | chebi:39376 |
| formula | C25H20ClF2N3O3 |
| global charge | 0 |
| mol weight | 483.902 |
| InChIKey | PCKNFPQPGUWFHO-UQRQXUALSA-N |
| InChI | InChI=1S/C25H20ClF2N3O3/c26-18-10-8-17(9-11-18)23(16-6-7-16)31-34-14-15-4-12-19(13-5-15)29-25(33)30-24(32)22-20(27)2-1-3-21(22)28/h1-5,8-13,16H,6-7,14H2,(H2,29,30,32,33)/b31-23+ |
| SMILES | O=C(NC(=O)C1=C(F)C=CC=C1F)NC1=CC=C(CO/N=C(/C2=CC=C(Cl)C=C2)C2CC2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H20ClF2N3O3/c26-18-10-8-17(9-11-18)23(16-6-7-16)31-34-14-15-4-12-19(13-5-15)29-25(33)30-24(32)22-20(27)2-1-3-21(22)28/h1-5,8-13,16H,6-7,14H2,(H2,29,30,32,33)/b31-23+ |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:20]([F:27])=[C:22]([C:24](=[N:30][C:25]([NH:29][C:19]2=[CH:13][CH:5]=[C:15]([CH2:14][O:34]/[N:31]=[C:23](\[CH:16]3[CH2:6][CH2:7]3)[C:17]3=[CH:9][CH:11]=[C:18]([Cl:26])[CH:10]=[CH:8]3)[CH:4]=[CH:12]2)=[O:33])[OH:32])[C:21]([F:28])=[CH:3]1 |
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