PDB CCD ID: | 7QF |
Number of entries in BioLiP: | 1 |
Chemical formula: | C17 H17 N3 O |
InChI: | InChI=1S/C17H17N3O/c18-10-15-9-13(4-5-16(15)19)12-2-1-3-14(8-12)17-11-20-6-7-21-17/h1-5,8-9,17,20H,6-7,11,19H2/t17-/m0/s1 |
InChIKey: | RKLBLNPSMVENJK-KRWDZBQOSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)[C@@H]2CNCCO2)c3ccc(c(c3)C#N)N | CACTVS 3.385 | Nc1ccc(cc1C#N)c2cccc(c2)[C@@H]3CNCCO3 | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)C2CNCCO2)c3ccc(c(c3)C#N)N | CACTVS 3.385 | Nc1ccc(cc1C#N)c2cccc(c2)[CH]3CNCCO3 |
|
Name: | 2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile |