V18
Summary
| Name: | 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione |
| Formula: | C19 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 321.373 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H19N3O2/c23-17-19(8-14(9-19)12-5-3-6-12)21-18(24)22(17)16-11-20-10-13-4-1-2-7-15(13)16/h1-2,4,7,10-12,14H,3,5-6,8-9H2,(H,21,24)/t14-,19- |
| InChIKey | InChI | 1.03 | YKGOQXICHYEMJW-QUWSVYMGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1N[C@@]2(C[C@H](C2)C3CCC3)C(=O)N1c4cncc5ccccc45 |
| SMILES | CACTVS | 3.385 | O=C1N[C]2(C[CH](C2)C3CCC3)C(=O)N1c4cncc5ccccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2N3C(=O)C4(CC(C4)C5CCC5)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2N3C(=O)C4(CC(C4)C5CCC5)NC3=O |
