A1CLF
Summary
| Name: | 1'-methylspiro[naphtho[1,2-b]pyran-2,4'-piperidin]-4(3H)-one |
| Formula: | C18 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 281.349 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1'-methylspiro[naphtho[1,2-b]pyran-2,4'-piperidin]-4(3H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 1'-methylspiro[3~{H}-benzo[h]chromene-2,4'-piperidine]-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1CC2(CCN(C)CC2)Oc2c1ccc1ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C18H19NO2/c1-19-10-8-18(9-11-19)12-16(20)15-7-6-13-4-2-3-5-14(13)17(15)21-18/h2-7H,8-12H2,1H3 |
| InChIKey | InChI | 1.06 | QPIFOKSJCZZZEV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC2(CC1)CC(=O)c3ccc4ccccc4c3O2 |
| SMILES | CACTVS | 3.385 | CN1CCC2(CC1)CC(=O)c3ccc4ccccc4c3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN1CCC2(CC1)CC(=O)c3ccc4ccccc4c3O2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN1CCC2(CC1)CC(=O)c3ccc4ccccc4c3O2 |
