6QI
Summary
| Name: | [(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone |
| Formula: | C26 H31 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 433.543 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(6~{R})-6-(1~{H}-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H31N3O3/c1-31-22-9-7-21(8-10-22)26(11-2-3-12-26)25(30)29-13-14-32-18-19(17-29)15-20-5-4-6-24-23(20)16-27-28-24/h4-10,16,19H,2-3,11-15,17-18H2,1H3,(H,27,28)/t19-/m1/s1 |
| InChIKey | InChI | 1.03 | DUYFMLONWKDSAB-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C2(CCCC2)C(=O)N3CCOC[C@@H](C3)Cc4cccc5[nH]ncc45 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C2(CCCC2)C(=O)N3CCOC[CH](C3)Cc4cccc5[nH]ncc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C2(CCCC2)C(=O)N3CCOC[C@@H](C3)Cc4cccc5c4cn[nH]5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C2(CCCC2)C(=O)N3CCOCC(C3)Cc4cccc5c4cn[nH]5 |
