| PDB CCD ID: | W4H |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H12 N2 O |
| InChI: | InChI=1S/C11H12N2O/c1-2-10(8-12)13-11(14)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14)/t10-/m0/s1 |
| InChIKey: | UAMIRZPPHTZDMI-JTQLQIEISA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCC(C#N)NC(=O)c1ccccc1 | | CACTVS 3.385 | CC[CH](NC(=O)c1ccccc1)C#N | | CACTVS 3.385 | CC[C@H](NC(=O)c1ccccc1)C#N | | ACDLabs 12.01 | O=C(NC(C#N)CC)c1ccccc1 | | OpenEye OEToolkits 2.0.7 | CC[C@@H](C#N)NC(=O)c1ccccc1 |
|
| Name: | N-[(1S)-1-cyanopropyl]benzamide |
| ZINC: | ZINC000002518948 |
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