TP0
Summary
| Name: | Amitriptyline |
| Synonyms: | 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine |
| Formula: | C20 H23 N |
| Formal charge: | 0 |
| Formula weight: | 277.403 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3cc2c(/C(c1c(cccc1)CC2)=C/CCN(C)C)cc3 |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(C)CCC=C1c2ccccc2CCc3ccccc13 |
| SMILES | CACTVS | 3.370 | CN(C)CCC=C1c2ccccc2CCc3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C)CCC=C1c2ccccc2CCc3c1cccc3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN(C)CCC=C1c2ccccc2CCc3c1cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 |
| InChIKey | InChI | 1.03 | KRMDCWKBEZIMAB-UHFFFAOYSA-N |
