| Properties | Image |
| MNX_ID | MNXM170580 |
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| reference | chebi:102448 |
| formula | C25H25FN4O3 |
| global charge | 0 |
| mol weight | 448.498 |
| InChIKey | QUSVXALKSRSRLD-YXPKMTABSA-N |
| InChI | InChI=1S/C25H25FN4O3/c1-29-22-19(20(14-31)23(29)24(32)28-12-17-7-2-3-10-27-17)13-30-21(22)9-8-18(25(30)33)15-5-4-6-16(26)11-15/h2-11,19-20,22-23,31H,12-14H2,1H3,(H,28,32)/t19-,20-,22+,23-/m1/s1 |
| SMILES | CN1[C@@H]2C3=CC=C(C4=CC(F)=CC=C4)C(=O)N3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC1=CC=CC=N1 |
MNX internals
| InChI (mnx) | InChI=1/C25H25FN4O3/c1-29-22-19(20(14-31)23(29)24(32)28-12-17-7-2-3-10-27-17)13-30-21(22)9-8-18(25(30)33)15-5-4-6-16(26)11-15/h2-11,19-20,22-23,31H,12-14H2,1H3,(H,28,32)/t19-,20-,22+,23-/m1/s1 |
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| SMILES (mnx) | [CH3:1][N:29]1[C@H:22]2[C@H:19]([CH2:13][N:30]3[C:21]2=[CH:9][CH:8]=[C:18]([C:15]2=[CH:11][C:16]([F:26])=[CH:6][CH:4]=[CH:5]2)[C:25]3=[O:33])[C@@H:20]([CH2:14][OH:31])[C@@H:23]1[C:24](=[N:28][CH2:12][C:17]1=[CH:7][CH:2]=[CH:3][CH:10]=[N:27]1)[OH:32] |
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