| Properties | Image |
|---|
| MNX_ID | MNXM1128538 |
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| reference | chebi:166970 |
| formula | C28H35ClN4O |
| global charge | 0 |
| mol weight | 479.068 |
| InChIKey | PXUIZULXJVRBPC-SANMLTNESA-N |
| InChI | InChI=1S/C28H35ClN4O/c29-23-12-11-22-10-9-21-6-1-2-7-24(21)32(25(22)20-23)16-5-15-31-18-13-28(14-19-31)27(34)30-26-8-3-4-17-33(26)28/h1-2,6-7,11-12,20,26H,3-5,8-10,13-19H2,(H,30,34)/t26-/m0/s1 |
| SMILES | O=C1N[C@@H]2CCCCN2C12CCN(CCCN1C3=C(C=CC=C3)CCC3=C1C=C(Cl)C=C3)CC2 |
MNX internals
| InChI (mnx) | InChI=1/C28H35ClN4O/c29-23-12-11-22-10-9-21-6-1-2-7-24(21)32(25(22)20-23)16-5-15-31-18-13-28(14-19-31)27(34)30-26-8-3-4-17-33(26)28/h1-2,6-7,11-12,20,26H,3-5,8-10,13-19H2,(H,30,34)/t26-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:7]=[C:24]2[C:21](=[CH:6]1)[CH2:9][CH2:10][C:22]1=[CH:11][CH:12]=[C:23]([Cl:29])[CH:20]=[C:25]1[N:32]2[CH2:16][CH2:5][CH2:15][N:31]1[CH2:18][CH2:13][C:28]2([CH2:14][CH2:19]1)[C:27]([OH:34])=[N:30][C@@H:26]1[CH2:8][CH2:3][CH2:4][CH2:17][N:33]12 |
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