| Properties | Image |
| MNX_ID | MNXM169617 |
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| reference | chebi:129080 |
| formula | C26H31FN4O3 |
| global charge | 0 |
| mol weight | 466.557 |
| InChIKey | WUJMIKHUVFPYKN-QFIPXVFZSA-N |
| InChI | InChI=1S/C26H31FN4O3/c1-3-10-28-25(33)31-15-26(16-31)14-30(12-17-4-6-18(27)7-5-17)22(13-32)24-23(26)20-9-8-19(34-2)11-21(20)29-24/h4-9,11,22,29,32H,3,10,12-16H2,1-2H3,(H,28,33)/t22-/m0/s1 |
| SMILES | CCCNC(=O)N1CC2(C1)CN(CC1=CC=C(F)C=C1)[C@@H](CO)C1=C2C2=C(C=C(OC)C=C2)N1 |
MNX internals
| InChI (mnx) | InChI=1/C26H31FN4O3/c1-3-10-28-25(33)31-15-26(16-31)14-30(12-17-4-6-18(27)7-5-17)22(13-32)24-23(26)20-9-8-19(34-2)11-21(20)29-24/h4-9,11,22,29,32H,3,10,12-16H2,1-2H3,(H,28,33)/t22-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:10][N:28]=[C:25]([N:31]1[CH2:15][C:26]2([CH2:14][N:30]([CH2:12][C:17]3=[CH:5][CH:7]=[C:18]([F:27])[CH:6]=[CH:4]3)[C@@H:22]([CH2:13][OH:32])[C:24]3=[C:23]2[C:20]2=[C:21]([CH:11]=[C:19]([O:34][CH3:2])[CH:8]=[CH:9]2)[NH:29]3)[CH2:16]1)[OH:33] |
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