A1LX3
Summary
| Name: | ~{N}-methyl-3-(1-tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2(7),3,5,9,11,13-hexaenyl)propan-1-amine |
| Synonyms: | Maprotiline |
| Formula: | C20 H23 N |
| Formal charge: | 0 |
| Formula weight: | 277.403 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-3-(1-tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2(7),3,5,9,11,13-hexaenyl)propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3/t15-,20+ |
| InChIKey | InChI | 1.06 | QSLMDECMDJKHMQ-GSXCWMCISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCCC[C@@]12CC[C@@H](c3ccccc13)c4ccccc24 |
| SMILES | CACTVS | 3.385 | CNCCC[C]12CC[CH](c3ccccc13)c4ccccc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNCCCC12CCC(c3c1cccc3)c4c2cccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCCCC12CCC(c3c1cccc3)c4c2cccc4 |
