KWP
Summary
| Name: | ~{N}-[(4~{S})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide |
| Formula: | C17 H16 Cl2 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 379.241 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(4~{S})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16Cl2N4O2/c18-14-2-1-13(9-15(14)19)23-10-12(5-8-24)16(22-23)21-17(25)11-3-6-20-7-4-11/h1-4,6-7,9,12,24H,5,8,10H2,(H,21,22,25)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | XHACMMNMQIKLAQ-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC[C@H]1CN(N=C1NC(=O)c2ccncc2)c3ccc(Cl)c(Cl)c3 |
| SMILES | CACTVS | 3.385 | OCC[CH]1CN(N=C1NC(=O)c2ccncc2)c3ccc(Cl)c(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N2C[C@@H](C(=N2)NC(=O)c3ccncc3)CCO)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N2CC(C(=N2)NC(=O)c3ccncc3)CCO)Cl)Cl |
