H83
Summary
| Name: | ~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine |
| Formula: | C17 H21 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 288.815 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21ClN2/c18-17-12-14(13-20-11-5-4-10-19)8-9-16(17)15-6-2-1-3-7-15/h1-3,6-9,12,20H,4-5,10-11,13,19H2 |
| InChIKey | InChI | 1.03 | HJEYOGWGGOUBGH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCCNCc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | NCCCCNCc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2ccc(cc2Cl)CNCCCCN |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2ccc(cc2Cl)CNCCCCN |
