A1ITT
Summary
| Name: | ethyl 4-[4-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)butylamino]butanoate |
| Formula: | C24 H31 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 414.968 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl 4-[4-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)butylamino]butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H31ClN2O2/c1-2-29-24(28)10-7-16-26-15-5-6-17-27-22-9-4-3-8-19(22)11-12-20-13-14-21(25)18-23(20)27/h3-4,8-9,13-14,18,26H,2,5-7,10-12,15-17H2,1H3 |
| InChIKey | InChI | 1.06 | JBZZTILMWOVNNR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CCCNCCCCN1c2ccccc2CCc3ccc(Cl)cc13 |
| SMILES | CACTVS | 3.385 | CCOC(=O)CCCNCCCCN1c2ccccc2CCc3ccc(Cl)cc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CCCNCCCCN1c2ccccc2CCc3c1cc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CCCNCCCCN1c2ccccc2CCc3c1cc(cc3)Cl |
