T8A
Summary
| Name: | 1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one |
| Formula: | C17 H17 N O |
| Formal charge: | 0 |
| Formula weight: | 251.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[(4~{S})-4-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc3C(c1ccccc1)CN(C(C)=O)Cc3cc2 |
| InChI | InChI | 1.03 | InChI=1S/C17H17NO/c1-13(19)18-11-15-9-5-6-10-16(15)17(12-18)14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | SORYMMAUHZPBJM-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1C[C@@H](c2ccccc2)c3ccccc3C1 |
| SMILES | CACTVS | 3.385 | CC(=O)N1C[CH](c2ccccc2)c3ccccc3C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1Cc2ccccc2[C@@H](C1)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1Cc2ccccc2C(C1)c3ccccc3 |
