KZS
Summary
| Name: | N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine |
| Synonyms: | GSK3368715 |
| Formula: | C20 H38 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 366.541 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine |
| OpenEye OEToolkits | 2.0.7 | ~{N}'-[[5-[4,4-bis(ethoxymethyl)cyclohexyl]-1~{H}-pyrazol-4-yl]methyl]-~{N},~{N}'-dimethyl-ethane-1,2-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCOCC1(CCC(CC1)c2nncc2CN(C)CCNC)COCC |
| InChI | InChI | 1.03 | InChI=1S/C20H38N4O2/c1-5-25-15-20(16-26-6-2)9-7-17(8-10-20)19-18(13-22-23-19)14-24(4)12-11-21-3/h13,17,21H,5-12,14-16H2,1-4H3,(H,22,23) |
| InChIKey | InChI | 1.03 | SPEGERVLTUWZPA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOCC1(CCC(CC1)c2[nH]ncc2CN(C)CCNC)COCC |
| SMILES | CACTVS | 3.385 | CCOCC1(CCC(CC1)c2[nH]ncc2CN(C)CCNC)COCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOCC1(CCC(CC1)c2c(cn[nH]2)CN(C)CCNC)COCC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOCC1(CCC(CC1)c2c(cn[nH]2)CN(C)CCNC)COCC |
