21B
Summary
| Name: | Nortriptyline |
| Synonyms: | 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine |
| Formula: | C19 H21 N |
| Formal charge: | 0 |
| Formula weight: | 263.377 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-methylpropan-1-amine |
| OpenEye OEToolkits | 1.7.6 | 3-(5,6-dihydrodibenzo[1,2-a:1',2'-e][7]annulen-11-ylidene)-N-methyl-propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3cc2c(/C(c1c(cccc1)CC2)=C/CCNC)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 |
| InChIKey | InChI | 1.03 | PHVGLTMQBUFIQQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCCC=C1c2ccccc2CCc3ccccc13 |
| SMILES | CACTVS | 3.385 | CNCCC=C1c2ccccc2CCc3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNCCC=C1c2ccccc2CCc3c1cccc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNCCC=C1c2ccccc2CCc3c1cccc3 |
