PDB CCD ID: | 935 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C21 H25 F3 N4 O |
InChI: | InChI=1S/C21H25F3N4O/c1-27-9-11-28(12-10-27)8-3-13-29-20-7-6-16(14-18(20)21(22,23)24)19-5-2-4-17(15-25)26-19/h2,4-7,14-15,25H,3,8-13H2,1H3/b25-15+ |
InChIKey: | BNDJQLLXZUKTHM-MFKUBSTISA-N |
SMILES: | Software | SMILES |
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ACDLabs 12.01 | FC(F)(F)c3cc(c1nc(C=[N@H])ccc1)ccc3OCCCN2CCN(CC2)C | OpenEye OEToolkits 1.7.0 | CN1CCN(CC1)CCCOc2ccc(cc2C(F)(F)F)c3cccc(n3)C=N | OpenEye OEToolkits 1.7.0 | [H]/N=C/c1cccc(n1)c2ccc(c(c2)C(F)(F)F)OCCCN3CCN(CC3)C | CACTVS 3.370 | CN1CCN(CCCOc2ccc(cc2C(F)(F)F)c3cccc(C=N)n3)CC1 |
|
Name: | (E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine |