SU7
Summary
| Name: | 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile |
| Formula: | C15 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 242.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H18N2O/c16-9-6-15(18)17-10-7-14(8-11-17)12-13-4-2-1-3-5-13/h1-5,14H,6-8,10-12H2 |
| InChIKey | InChI | 1.03 | ZCRMYTZFCMQXHR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CC#N)N1CCC(CC1)Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C(CC#N)N1CCC(CC1)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CC2CCN(CC2)C(=O)CC#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CC2CCN(CC2)C(=O)CC#N |
