A1EYI
Summary
| Name: | 1-(1,2,3,6-tetrahydropyridin-5-yl)-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-4-ol |
| Formula: | C16 H21 N O |
| Formal charge: | 0 |
| Formula weight: | 243.344 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(1,2,3,6-tetrahydropyridin-5-yl)-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H21NO/c18-16-9-8-13(12-5-4-10-17-11-12)14-6-2-1-3-7-15(14)16/h5,8-9,17-18H,1-4,6-7,10-11H2 |
| InChIKey | InChI | 1.06 | LLPQBEZDPKTKOG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(C2=CCCNC2)c3CCCCCc13 |
| SMILES | CACTVS | 3.385 | Oc1ccc(C2=CCCNC2)c3CCCCCc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1C3=CCCNC3)CCCCC2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1C3=CCCNC3)CCCCC2)O |
