A1BO5
Summary
| Name: | 3-[3-(3-methylphenyl)-2-oxo-1,3-diazinan-1-yl]propanamide |
| Formula: | C14 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 261.32 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-[3-(3-methylphenyl)-2-oxo-1,3-diazinan-1-yl]propanamide |
| OpenEye OEToolkits | 3.1.0.0 | 3-[3-(3-methylphenyl)-2-oxidanylidene-1,3-diazinan-1-yl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1cc(ccc1)N1CCCN(CCC(N)=O)C1=O |
| InChI | InChI | 1.06 | InChI=1S/C14H19N3O2/c1-11-4-2-5-12(10-11)17-8-3-7-16(14(17)19)9-6-13(15)18/h2,4-5,10H,3,6-9H2,1H3,(H2,15,18) |
| InChIKey | InChI | 1.06 | SQAKFKXNPUIJIK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(c1)N2CCCN(CCC(N)=O)C2=O |
| SMILES | CACTVS | 3.385 | Cc1cccc(c1)N2CCCN(CCC(N)=O)C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1)N2CCCN(C2=O)CCC(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1)N2CCCN(C2=O)CCC(=O)N |
