| Properties | Image |
|---|
| MNX_ID | MNXM160732 |
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| reference | chebi:21182 |
| formula | C23H30Cl5N3O |
| global charge | 0 |
| mol weight | 541.778 |
| InChIKey | JETDZFFCRPFPDH-UHFFFAOYSA-N |
| InChI | InChI=1S/C23H28Cl3N3O.2ClH/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23;;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28);2*1H |
| SMILES | COC1=CC=C2N=C3C=C(Cl)C=CC3=C(NC(C)CCCN(CCCl)CCCl)C2=C1.[Cl-].[Cl-].[H+].[H+] |
MNX internals
| InChI (mnx) | InChI=1/C23H28Cl3N3O.2ClH/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23;;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28);2*1H/t16?;; |
 |
| SMILES (mnx) | [CH3:1][CH:16]([CH2:4][CH2:3][CH2:11][N:29]([CH2:12][CH2:9][Cl:24])[CH2:13][CH2:10][Cl:25])[N:27]=[C:23]1[C:19]2=[C:22]([CH:14]=[C:17]([Cl:26])[CH:5]=[CH:7]2)[NH:28][C:21]2=[CH:8][CH:6]=[C:18]([O:30][CH3:2])[CH:15]=[C:20]21.[ClH:31].[ClH:32] |
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