A1AW2
Summary
| Name: | 1-[(4-bromophenyl)methyl]-1,4-diazepane |
| Formula: | C12 H17 Br N2 |
| Formal charge: | 0 |
| Formula weight: | 269.181 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(4-bromophenyl)methyl]-1,4-diazepane |
| OpenEye OEToolkits | 2.0.7 | 1-[(4-bromophenyl)methyl]-1,4-diazepane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ccc(CN2CCCNCC2)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H17BrN2/c13-12-4-2-11(3-5-12)10-15-8-1-6-14-7-9-15/h2-5,14H,1,6-10H2 |
| InChIKey | InChI | 1.06 | PUTBARDRYLXING-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(CN2CCCNCC2)cc1 |
| SMILES | CACTVS | 3.385 | Brc1ccc(CN2CCCNCC2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN2CCCNCC2)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN2CCCNCC2)Br |
