A1H4R
Summary
| Name: | 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine |
| Formula: | C16 H15 Cl2 N3 |
| Formal charge: | 0 |
| Formula weight: | 320.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[3-[2,3-bis(chloranyl)phenyl]-1~{H}-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15Cl2N3/c17-13-5-1-4-11(15(13)18)12-9-20-14-7-10(3-2-6-19)8-21-16(12)14/h1,4-5,7-9,20H,2-3,6,19H2 |
| InChIKey | InChI | 1.06 | KUEONYYDILYQIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCc1cnc2c([nH]cc2c3cccc(Cl)c3Cl)c1 |
| SMILES | CACTVS | 3.385 | NCCCc1cnc2c([nH]cc2c3cccc(Cl)c3Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)Cl)c2c[nH]c3c2ncc(c3)CCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)Cl)c2c[nH]c3c2ncc(c3)CCCN |
