9H6
Summary
| Name: | 1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1H)-one |
| Formula: | C21 H24 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 364.441 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1H)-one |
| OpenEye OEToolkits | 2.0.6 | 1-methyl-1'-(4-oxidanylidene-5,6,7,8-tetrahydro-3~{H}-quinazolin-2-yl)spiro[indole-3,4'-piperidine]-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C15(C(N(C)c2ccccc12)=O)CCN(C=4NC(C=3CCCCC=3N=4)=O)CC5 |
| InChI | InChI | 1.03 | InChI=1S/C21H24N4O2/c1-24-17-9-5-3-7-15(17)21(19(24)27)10-12-25(13-11-21)20-22-16-8-4-2-6-14(16)18(26)23-20/h3,5,7,9H,2,4,6,8,10-13H2,1H3,(H,22,23,26) |
| InChIKey | InChI | 1.03 | QGWDNAJCJCGIMZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C2(CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3)c5ccccc15 |
| SMILES | CACTVS | 3.385 | CN1C(=O)C2(CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3)c5ccccc15 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1c2ccccc2C3(C1=O)CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1c2ccccc2C3(C1=O)CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4 |
