| Properties | Image |
|---|
| MNX_ID | MNXM106472 |
 |
| reference | chebi:66677 |
| formula | C25H35N3O2 |
| global charge | 0 |
| mol weight | 409.574 |
| InChIKey | JPTGQNMDWMSVSF-XOLQFJJLSA-N |
| InChI | InChI=1S/C25H35N3O2/c1-17-15-18-9-6-4-3-5-7-10-19-12-13-21(27-19)24(18)25(30-17)23(29-2)16-22(28-25)20-11-8-14-26-20/h8,11-14,17-18,23-24,26-27H,3-7,9-10,15-16H2,1-2H3/t17-,18-,23-,24-,25+/m0/s1 |
| SMILES | CO[C@H]1CC(C2=CC=CN2)=N[C@@]12O[C@@H](C)C[C@@H]1CCCCCCCC3=CC=C(N3)[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C25H35N3O2/c1-17-15-18-9-6-4-3-5-7-10-19-12-13-21(27-19)24(18)25(30-17)23(29-2)16-22(28-25)20-11-8-14-26-20/h8,11-14,17-18,23-24,26-27H,3-7,9-10,15-16H2,1-2H3/t17-,18-,23-,24-,25+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:17]1[CH2:15][C@@H:18]2[CH2:9][CH2:6][CH2:4][CH2:3][CH2:5][CH2:7][CH2:10][C:19]3=[CH:12][CH:13]=[C:21]([C@H:24]2[C@@:25]2([C@@H:23]([O:29][CH3:2])[CH2:16][C:22]([C:20]4=[CH:11][CH:8]=[CH:14][NH:26]4)=[N:28]2)[O:30]1)[NH:27]3 |
|