PDB CCD ID: | 3B1 |
Number of entries in BioLiP: | 4 |
Chemical formula: | C12 H14 N2 O |
InChI: | InChI=1S/C12H14N2O/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h1-5,12H,6-9H2/t12-/m0/s1 |
InChIKey: | MWZPYQLYZXTCLZ-LBPRGKRZSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | N#CC(c1ccccc1)N2CCOCC2 | OpenEye OEToolkits 1.9.2 | c1ccc(cc1)[C@H](C#N)N2CCOCC2 | CACTVS 3.385 | N#C[CH](N1CCOCC1)c2ccccc2 | CACTVS 3.385 | N#C[C@H](N1CCOCC1)c2ccccc2 | OpenEye OEToolkits 1.9.2 | c1ccc(cc1)C(C#N)N2CCOCC2 |
|
Name: | (2R)-morpholin-4-yl(phenyl)ethanenitrile |
ZINC: | ZINC000019419070 |