9H3
Summary
| Name: | 1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2H-spiro[1-benzofuran-3,4'-piperidin]-2-one |
| Formula: | C20 H21 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 351.399 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2H-spiro[1-benzofuran-3,4'-piperidin]-2-one |
| OpenEye OEToolkits | 2.0.6 | 1'-(4-oxidanylidene-5,6,7,8-tetrahydro-3~{H}-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C15(C(Oc2c1cccc2)=O)CCN(C=4NC(C=3CCCCC=3N=4)=O)CC5 |
| InChI | InChI | 1.03 | InChI=1S/C20H21N3O3/c24-17-13-5-1-3-7-15(13)21-19(22-17)23-11-9-20(10-12-23)14-6-2-4-8-16(14)26-18(20)25/h2,4,6,8H,1,3,5,7,9-12H2,(H,21,22,24) |
| InChIKey | InChI | 1.03 | XGTNOTWEBRRAKO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=NC2=C1CCCC2)N3CCC4(CC3)C(=O)Oc5ccccc45 |
| SMILES | CACTVS | 3.385 | O=C1NC(=NC2=C1CCCC2)N3CCC4(CC3)C(=O)Oc5ccccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)C(=O)O2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)C(=O)O2 |
