2NJ
Summary
| Name: | (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Formula: | C16 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 252.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| OpenEye OEToolkits | 1.9.2 | (2S)-5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C3N(c1ccccc1NC(c2ccccc2)C3)C |
| InChI | InChI | 1.03 | InChI=1S/C16H16N2O/c1-18-15-10-6-5-9-13(15)17-14(11-16(18)19)12-7-3-2-4-8-12/h2-10,14,17H,11H2,1H3/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | FHOSJKIPIAZPJP-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C[C@H](Nc2ccccc12)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CN1C(=O)C[CH](Nc2ccccc12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1c2ccccc2N[C@@H](CC1=O)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN1c2ccccc2NC(CC1=O)c3ccccc3 |
