BMK
Summary
| Name: | (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene |
| Formula: | C16 H15 N |
| Formal charge: | 0 |
| Formula weight: | 221.297 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC23c1c(cccc1)CC(N2)c4ccccc34 |
| InChI | InChI | 1.03 | InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1 |
| InChIKey | InChI | 1.03 | LBOJYSIDWZQNJS-CVEARBPZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12N[C@H](Cc3ccccc13)c4ccccc24 |
| SMILES | CACTVS | 3.385 | C[C]12N[CH](Cc3ccccc13)c4ccccc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@]12c3ccccc3C[C@@H](N1)c4c2cccc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC12c3ccccc3CC(N1)c4c2cccc4 |
