F0C
Summary
| Name: | 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline |
| Formula: | C17 H21 N O |
| Formal charge: | 0 |
| Formula weight: | 255.355 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9H,2-5,10-12H2,1H3 |
| InChIKey | InChI | 1.03 | IYZRINJHKVQAQC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CC2=NCCC3=C2CCCC3)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CC2=NCCC3=C2CCCC3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CC2=NCCC3=C2CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CC2=NCCC3=C2CCCC3 |
