SM5
Summary
| Name: | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime |
| Formula: | C22 H23 N5 O |
| Formal charge: | 0 |
| Formula weight: | 373.451 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime |
| OpenEye OEToolkits | 1.5.0 | (NE)-N-[5-(1-piperidin-4-yl-3-pyridin-4-yl-pyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n4c(c1ccncc1)c(c3ccc2\C(=N\O)CCc2c3)cn4C5CCNCC5 |
| SMILES_CANONICAL | CACTVS | 3.341 | O/N=C/1CCc2cc(ccc/12)c3cn(nc3c4ccncc4)C5CCNCC5 |
| SMILES | CACTVS | 3.341 | ON=C1CCc2cc(ccc12)c3cn(nc3c4ccncc4)C5CCNCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc\2c(cc1c3cn(nc3c4ccncc4)C5CCNCC5)CC/C2=N\O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1c3cn(nc3c4ccncc4)C5CCNCC5)CCC2=NO |
| InChI | InChI | 1.03 | InChI=1S/C22H23N5O/c28-26-21-4-2-16-13-17(1-3-19(16)21)20-14-27(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,24,28H,2,4,7-8,11-12H2/b26-21+ |
| InChIKey | InChI | 1.03 | KWEFZSZCLBHIEQ-YYADALCUSA-N |
