| Properties | Image |
|---|
| MNX_ID | MNXM1174033 |
 |
| reference | envipathM:...485ebf1a6822 |
| formula | C14H16ClN3O |
| global charge | 0 |
| mol weight | 277.755 |
| InChIKey | BSVRSPRKBGOSTD-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H16ClN3O/c15-13(6-7-13)14(19,9-18-11-16-10-17-18)8-12-4-2-1-3-5-12/h1-5,10-11,19H,6-9H2 |
| SMILES | OC(CC1=CC=CC=C1)(CN1C=NC=N1)C1(Cl)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C14H16ClN3O/c15-13(6-7-13)14(19,9-18-11-16-10-17-18)8-12-4-2-1-3-5-12/h1-5,10-11,19H,6-9H2/t14? |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:12]([CH2:8][C:14]([CH2:9][N:18]2[CH:11]=[N:16][CH:10]=[N:17]2)([C:13]2([Cl:15])[CH2:6][CH2:7]2)[OH:19])[CH:5]=[CH:3]1 |
|