BDO
Summary
| Name: | (2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one |
| Formula: | C15 H20 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 293.792 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (5R)-3-[(3-chlorophenyl)methyl]-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)C[C@@]1(C)NC(=N)N(Cc2cccc(Cl)c2)C1=O |
| SMILES | CACTVS | 3.352 | CC(C)C[C]1(C)NC(=N)N(Cc2cccc(Cl)c2)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C\1/N[C@](C(=O)N1Cc2cccc(c2)Cl)(C)CC(C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC1(C(=O)N(C(=N)N1)Cc2cccc(c2)Cl)C |
| InChI | InChI | 1.03 | InChI=1S/C15H20ClN3O/c1-10(2)8-15(3)13(20)19(14(17)18-15)9-11-5-4-6-12(16)7-11/h4-7,10H,8-9H2,1-3H3,(H2,17,18)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | SMHLWQCDIJPLEC-OAHLLOKOSA-N |
