PDB CCD ID: | NJI |
Number of entries in BioLiP: | 1 |
Chemical formula: | C21 H27 Cl2 N3 O3 |
InChI: | InChI=1S/C21H27Cl2N3O3/c22-13-18(27)26-14-20(15-26)5-9-25(10-6-20)19(28)21(7-11-29-12-8-21)24-17-3-1-16(23)2-4-17/h1-4,24H,5-15H2 |
InChIKey: | IPRLKWXVJOVXSN-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | ClCC(=O)N1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1 | OpenEye OEToolkits 2.0.7 | c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC4(CC3)CN(C4)C(=O)CCl)Cl |
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Name: | 2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone |