2RK
Summary
| Name: | 4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine |
| Formula: | C22 H23 N5 O |
| Formal charge: | 0 |
| Formula weight: | 373.451 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine |
| OpenEye OEToolkits | 1.7.6 | 4-[4-(1-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=NC2=C1C=C/C(C=C1CC2)=C\4/N=C(N\C/4=C3\C=CNC=C3)C5CCNCC5 |
| InChI | InChI | 1.03 | InChI=1S/C22H23N5O/c28-27-19-4-2-16-13-17(1-3-18(16)19)21-20(14-5-9-23-10-6-14)25-22(26-21)15-7-11-24-12-8-15/h1,3,5-6,9-10,13,15,23-24H,2,4,7-8,11-12H2,(H,25,26)/b21-17- |
| InChIKey | InChI | 1.03 | GRRXVMYMOIITEW-FXBPSFAMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=NC1=C2C=C\C(C=C2CC1)=C3\N=C(NC3=C4C=CNC=C4)C5CCNCC5 |
| SMILES | CACTVS | 3.385 | O=NC1=C2C=CC(C=C2CC1)=C3N=C(NC3=C4C=CNC=C4)C5CCNCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CNCCC1C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CNCCC1C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2 |
