| Properties | Image |
|---|
| MNX_ID | MNXM47297 |
 |
| reference | keggD:D02649 |
| formula | C28H28ClF2N3O |
| global charge | 0 |
| mol weight | 496.001 |
| InChIKey | JCZYXTVBWHAWLL-UHFFFAOYSA-N |
| InChI | InChI=1S/C28H28ClF2N3O/c29-21-7-12-27-26(18-21)32-28(35)34(27)24-13-16-33(17-14-24)15-1-2-25(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24-25H,1-2,13-17H2,(H,32,35) |
| SMILES | O=C1NC2=C(C=CC(Cl)=C2)N1C1CCN(CCCC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C28H28ClF2N3O/c29-21-7-12-27-26(18-21)32-28(35)34(27)24-13-16-33(17-14-24)15-1-2-25(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24-25H,1-2,13-17H2,(H,32,35) |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH:25]([C:19]1=[CH:4][CH:9]=[C:22]([F:30])[CH:8]=[CH:3]1)[C:20]1=[CH:6][CH:11]=[C:23]([F:31])[CH:10]=[CH:5]1)[CH2:15][N:33]1[CH2:16][CH2:13][CH:24]([N:34]2[C:27]3=[C:26]([CH:18]=[C:21]([Cl:29])[CH:7]=[CH:12]3)[N:32]=[C:28]2[OH:35])[CH2:14][CH2:17]1 |
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