| Properties | Image |
|---|
| MNX_ID | MNXM529303 |
 |
| reference | chebi:115043 |
| formula | C23H19N3O3 |
| global charge | 0 |
| mol weight | 385.423 |
| InChIKey | KAVKFLFQNFYHGR-UHFFFAOYSA-N |
| InChI | InChI=1S/C23H19N3O3/c1-12-10-22(2,3)26-19-14(12)5-4-6-16(19)23(21(26)28)15-8-7-13(27)9-18(15)29-20(25)17(23)11-24/h4-10,27H,25H2,1-3H3 |
| SMILES | CC1=CC(C)(C)N2C(=O)C3(C4=CC=C(O)C=C4OC(N)=C3C#N)C3=CC=CC1=C32 |
MNX internals
| InChI (mnx) | InChI=1/C23H19N3O3/c1-12-10-22(2,3)26-19-14(12)5-4-6-16(19)23(21(26)28)15-8-7-13(27)9-18(15)29-20(25)17(23)11-24/h4-10,27H,25H2,1-3H3/t23? |
 |
| SMILES (mnx) | [CH3:1][C:12]1=[CH:10][C:22]([CH3:2])([CH3:3])[N:26]2[C:19]3=[C:14]1[CH:5]=[CH:4][CH:6]=[C:16]3[C:23]1([C:15]3=[C:18]([CH:9]=[C:13]([OH:27])[CH:7]=[CH:8]3)[O:29][C:20]([NH2:25])=[C:17]1[C:11]#[N:24])[C:21]2=[O:28] |
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