RLW
Summary
| Name: | 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{H}-pyrazol-5-one |
| Formula: | C17 H22 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 302.368 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{H}-pyrazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H22N2O3/c1-17(2)15(18-19-16(17)20)11-8-9-13(21-3)14(10-11)22-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H,19,20) |
| InChIKey | InChI | 1.03 | OEXHNVPDHFPXCA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1OC2CCCC2)C3=NNC(=O)C3(C)C |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1OC2CCCC2)C3=NNC(=O)C3(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(C(=NNC1=O)c2ccc(c(c2)OC3CCCC3)OC)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C(=NNC1=O)c2ccc(c(c2)OC3CCCC3)OC)C |
