XE9
Summary
| Name: | [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine |
| Formula: | C20 H21 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 352.861 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H21ClN4/c21-18-12-17-11-16(15-3-1-2-14(10-15)13-22)4-5-19(17)24-20(18)25-8-6-23-7-9-25/h1-5,10-12,23H,6-9,13,22H2 |
| InChIKey | InChI | 1.06 | PMBAQAZUQBDHLD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cccc(c1)c2ccc3nc(N4CCNCC4)c(Cl)cc3c2 |
| SMILES | CACTVS | 3.385 | NCc1cccc(c1)c2ccc3nc(N4CCNCC4)c(Cl)cc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)c2ccc3c(c2)cc(c(n3)N4CCNCC4)Cl)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)c2ccc3c(c2)cc(c(n3)N4CCNCC4)Cl)CN |
