D0B
Summary
| Name: | 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one |
| Formula: | C24 H33 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 427.537 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H33N3O4/c1-17-15-26(16-18(2)30-17)24(28)11-13-27-12-10-21(25-27)19-8-9-22(29-3)23(14-19)31-20-6-4-5-7-20/h8-10,12,14,17-18,20H,4-7,11,13,15-16H2,1-3H3/t17-,18-/m1/s1 |
| InChIKey | InChI | 1.03 | LHNCPVPBFABTSP-QZTJIDSGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1OC2CCCC2)c3ccn(CCC(=O)N4C[C@@H](C)O[C@H](C)C4)n3 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1OC2CCCC2)c3ccn(CCC(=O)N4C[CH](C)O[CH](C)C4)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1CN(C[C@H](O1)C)C(=O)CCn2ccc(n2)c3ccc(c(c3)OC4CCCC4)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1CN(CC(O1)C)C(=O)CCn2ccc(n2)c3ccc(c(c3)OC4CCCC4)OC |
