Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCN(CC)c1ccc2c3ccc(cc3C(C)(C)c2c1)\C=C\C |
InChI | InChI | 1.03 | InChI=1S/C22H27N/c1-6-9-16-10-12-18-19-13-11-17(23(7-2)8-3)15-21(19)22(4,5)20(18)14-16/h6,9-15H,7-8H2,1-5H3/b9-6+ |
InChIKey | InChI | 1.03 | UMARKYXLRJLTSK-RMKNXTFCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)c1ccc2c3ccc(\C=C\C)cc3C(C)(C)c2c1 |
SMILES | CACTVS | 3.385 | CCN(CC)c1ccc2c3ccc(C=CC)cc3C(C)(C)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)/C=C/C)(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)C=CC)(C)C |