| Properties | Image |
| MNX_ID | MNXM170862 |
 |
| reference | chebi:98051 |
| formula | C19H19N3O3 |
| global charge | 0 |
| mol weight | 337.379 |
| InChIKey | MOIIHOSYSQGYMW-BQFCYCMXSA-N |
| InChI | InChI=1S/C19H19N3O3/c1-25-17-10-6-5-9-14(17)21-19(24)22-15(11-20)18(16(22)12-23)13-7-3-2-4-8-13/h2-10,15-16,18,23H,12H2,1H3,(H,21,24)/t15-,16-,18-/m0/s1 |
| SMILES | COC1=CC=CC=C1NC(=O)N1[C@@H](C#N)[C@H](C2=CC=CC=C2)[C@@H]1CO |
MNX internals
| InChI (mnx) | InChI=1/C19H19N3O3/c1-25-17-10-6-5-9-14(17)21-19(24)22-15(11-20)18(16(22)12-23)13-7-3-2-4-8-13/h2-10,15-16,18,23H,12H2,1H3,(H,21,24)/t15-,16-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:25][C:17]1=[CH:10][CH:6]=[CH:5][CH:9]=[C:14]1[N:21]=[C:19]([N:22]1[C@@H:15]([C:11]#[N:20])[C@H:18]([C:13]2=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]2)[C@@H:16]1[CH2:12][OH:23])[OH:24] |
|