| PDB CCD ID: | 0SJ |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C18 H17 Cl N2 O2 |
| InChI: | InChI=1S/C18H17ClN2O2/c19-15-6-4-13(5-7-15)18(23)20-9-12-8-14(11-20)16-2-1-3-17(22)21(16)10-12/h1-7,12,14H,8-11H2/t12-,14+/m0/s1 |
| InChIKey: | AXGNYHMYSWJJSC-GXTWGEPZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)Cl | | OpenEye OEToolkits 1.7.6 | c1cc(ccc1C(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3)Cl | | CACTVS 3.370 | Clc1ccc(cc1)C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3 | | ACDLabs 12.01 | Clc1ccc(cc1)C(=O)N4CC3CN2C(=O)C=CC=C2C(C3)C4 | | CACTVS 3.370 | Clc1ccc(cc1)C(=O)N2C[CH]3C[CH](C2)C4=CC=CC(=O)N4C3 |
|
| Name: | (1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
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