U40
Summary
| Name: | 8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione |
| Formula: | C29 H30 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 482.574 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H30N4O3/c34-26(33-16-14-29(15-17-33)27(35)31-28(36)32-29)23-18-25(30-24-9-5-4-8-22(23)24)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h4-5,8-13,18-19H,1-3,6-7,14-17H2,(H2,31,32,35,36) |
| InChIKey | InChI | 1.06 | QBVAAXZTDPXUFJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)C2(CCN(CC2)C(=O)c3cc(nc4ccccc34)c5ccc(cc5)C6CCCCC6)N1 |
| SMILES | CACTVS | 3.385 | O=C1NC(=O)C2(CCN(CC2)C(=O)c3cc(nc4ccccc34)c5ccc(cc5)C6CCCCC6)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cc(n2)c3ccc(cc3)C4CCCCC4)C(=O)N5CCC6(CC5)C(=O)NC(=O)N6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cc(n2)c3ccc(cc3)C4CCCCC4)C(=O)N5CCC6(CC5)C(=O)NC(=O)N6 |
