| Properties | Image |
|---|
| MNX_ID | MNXM1128622 |
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| reference | chebi:167206 |
| formula | C21H25ClFN3O3 |
| global charge | 0 |
| mol weight | 421.9 |
| InChIKey | YPELFRMCRYSPKZ-INIZCTEOSA-N |
| InChI | InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)/t16-/m0/s1 |
| SMILES | CCOC1=CC(N)=C(Cl)C=C1C(=O)NC[C@H]1CN(CC2=CC=C(F)C=C2)CCO1 |
MNX internals
| InChI (mnx) | InChI=1/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)/t16-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][O:28][C:20]1=[CH:10][C:19]([NH2:24])=[C:18]([Cl:22])[CH:9]=[C:17]1[C:21](=[N:25][CH2:11][C@H:16]1[CH2:13][N:26]([CH2:12][C:14]2=[CH:4][CH:6]=[C:15]([F:23])[CH:5]=[CH:3]2)[CH2:7][CH2:8][O:29]1)[OH:27] |
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