| Properties | Image |
|---|
| MNX_ID | MNXM59855 |
 |
| reference | keggD:D04683 |
| formula | C28H30ClN5O3 |
| global charge | 0 |
| mol weight | 520.033 |
| InChIKey | GXYZREDEYDFJPT-ZMBIFBSDSA-N |
| InChI | InChI=1S/C28H29N5O3.ClH/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23;/h2-12,21H,13-18,20H2,1H3;1H/t21-;/m1./s1 |
| SMILES | C[C@H](CN(C(=O)C1=CC=C(C#N)C=C1)C1=CC=CC=N1)N1CCN(C2=C3OCCOC3=CC=C2)CC1.Cl |
MNX internals
| InChI (mnx) | InChI=1/C28H29N5O3.ClH/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23;/h2-12,21H,13-18,20H2,1H3;1H/t21-;/m1./s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:21]([CH2:20][N:33]([C:26]1=[CH:7][CH:2]=[CH:3][CH:12]=[N:30]1)[C:28]([C:23]1=[CH:11][CH:9]=[C:22]([C:19]#[N:29])[CH:8]=[CH:10]1)=[O:34])[N:31]1[CH2:13][CH2:15][N:32]([C:24]2=[C:27]3[C:25](=[CH:6][CH:4]=[CH:5]2)[O:35][CH2:17][CH2:18][O:36]3)[CH2:16][CH2:14]1.[ClH:37] |
|