H7W
Summary
| Name: | (1~{S})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide |
| Formula: | C21 H29 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 355.474 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{S})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | OYGLTKXMFGWXJT-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1N(C2CCN(CC2)C3CCCCC3)C(=O)c4c1cccc4C(N)=O |
| SMILES | CACTVS | 3.385 | C[CH]1N(C2CCN(CC2)C3CCCCC3)C(=O)c4c1cccc4C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N |
