CXX
Summary
| Name: | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE |
| Synonyms: | 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine |
| Formula: | C19 H23 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 314.852 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine |
| OpenEye OEToolkits | 1.5.0 | 3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc3c(c1)N(c2ccccc2CC3)CCCN(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13 |
| SMILES | CACTVS | 3.341 | CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 |
| InChIKey | InChI | 1.03 | GDLIGKIOYRNHDA-UHFFFAOYSA-N |
