986
Summary
| Name: | (4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Formula: | C10 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 176.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| OpenEye OEToolkits | 1.9.2 | (2R)-2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1Nc2c(NC(C1)=O)cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | BBPWQLMHOSRDMA-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC(=O)Nc2ccccc2N1 |
| SMILES | CACTVS | 3.385 | C[CH]1CC(=O)Nc2ccccc2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H]1CC(=O)Nc2ccccc2N1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1CC(=O)Nc2ccccc2N1 |
