A1I7E
Summary
| Name: | 6-[2-oxidanylidene-2-(11-oxidanylidene-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl)ethyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-one |
| Formula: | C24 H22 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 386.443 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[2-oxidanylidene-2-(11-oxidanylidene-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl)ethyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H22N2O3/c27-20(19-12-16-2-4-22(29)26-8-6-18(13-19)24(16)26)11-14-9-15-1-3-21(28)25-7-5-17(10-14)23(15)25/h9-10,12-13H,1-8,11H2 |
| InChIKey | InChI | 1.06 | ROYIOQKCYDUBTR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCc2cc(CC(=O)c3cc4CCN5C(=O)CCc(c3)c45)cc6CCN1c26 |
| SMILES | CACTVS | 3.385 | O=C1CCc2cc(CC(=O)c3cc4CCN5C(=O)CCc(c3)c45)cc6CCN1c26 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc2c3c1CCC(=O)N3CC2)CC(=O)c4cc5c6c(c4)CCN6C(=O)CC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc2c3c1CCC(=O)N3CC2)CC(=O)c4cc5c6c(c4)CCN6C(=O)CC5 |
