A1C1J
Summary
| Name: | (2,3-dihydro-1H-indol-1-yl)(pyridin-3-yl)methanone |
| Formula: | C14 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 224.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2,3-dihydro-1H-indol-1-yl)(pyridin-3-yl)methanone |
| OpenEye OEToolkits | 3.1.0.0 | 2,3-dihydroindol-1-yl(pyridin-3-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(c1cccnc1)N1CCc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C14H12N2O/c17-14(12-5-3-8-15-10-12)16-9-7-11-4-1-2-6-13(11)16/h1-6,8,10H,7,9H2 |
| InChIKey | InChI | 1.06 | YYKDBWANSKSVMO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N1CCc2ccccc12)c3cccnc3 |
| SMILES | CACTVS | 3.385 | O=C(N1CCc2ccccc12)c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)CCN2C(=O)c3cccnc3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)CCN2C(=O)c3cccnc3 |
