5XM
Summary
| Name: | (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one |
| Formula: | C17 H21 N3 O |
| Formal charge: | 0 |
| Formula weight: | 283.368 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21N3O/c21-17-14-6-2-3-7-15(14)20-11-8-13(16(20)18-17)12-19-9-4-1-5-10-19/h2-3,6-7,13H,1,4-5,8-12H2/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | CDOMBRFDONICCK-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1N=C2[C@H](CCN2c3ccccc13)CN4CCCCC4 |
| SMILES | CACTVS | 3.385 | O=C1N=C2[CH](CCN2c3ccccc13)CN4CCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)C(=O)N=C3N2CC[C@@H]3CN4CCCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)C(=O)N=C3N2CCC3CN4CCCCC4 |
