| Properties | Image |
|---|
| MNX_ID | MNXM156293 |
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| reference | keggD:D10314 |
| formula | C26H22Cl2N4 |
| global charge | 0 |
| mol weight | 461.396 |
| InChIKey | GTOMRUVXHAYDFH-DWXRJYCRSA-N |
| InChI | InChI=1S/C26H22Cl2N4/c1-18(21-5-2-19(15-29)3-6-21)31-12-13-32(25-11-4-20(16-30)14-24(25)28)26(17-31)22-7-9-23(27)10-8-22/h2-11,14,18,26H,12-13,17H2,1H3/t18-,26+/m1/s1 |
| SMILES | C[C@H](C1=CC=C(C#N)C=C1)N1CCN(C2=CC=C(C#N)C=C2Cl)[C@H](C2=CC=C(Cl)C=C2)C1 |
MNX internals
| InChI (mnx) | InChI=1/C26H22Cl2N4/c1-18(21-5-2-19(15-29)3-6-21)31-12-13-32(25-11-4-20(16-30)14-24(25)28)26(17-31)22-7-9-23(27)10-8-22/h2-11,14,18,26H,12-13,17H2,1H3/t18-,26+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18]([C:21]1=[CH:6][CH:3]=[C:19]([C:15]#[N:29])[CH:2]=[CH:5]1)[N:31]1[CH2:12][CH2:13][N:32]([C:25]2=[C:24]([Cl:28])[CH:14]=[C:20]([C:16]#[N:30])[CH:4]=[CH:11]2)[C@H:26]([C:22]2=[CH:8][CH:10]=[C:23]([Cl:27])[CH:9]=[CH:7]2)[CH2:17]1 |
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