Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C30H34N2O2/c1-7-31-23-15-11-9-13-21(23)29(3,4)25(31)17-19-27(33)20(28(19)34)18-26-30(5,6)22-14-10-12-16-24(22)32(26)8-2/h9-20H,7-8H2,1-6H3/b25-17+,26-18+/t19-,20- |
InChIKey | InChI | 1.06 | RFXRJJSGFNDERY-FAKNRSBRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN\1c2ccccc2C(C)(C)C\1=C\[C@@H]3C(=O)[C@@H](\C=C/4N(CC)c5ccccc5C/4(C)C)C3=O |
SMILES | CACTVS | 3.385 | CCN1c2ccccc2C(C)(C)C1=C[CH]3C(=O)[CH](C=C4N(CC)c5ccccc5C4(C)C)C3=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1/C(=C/C2C(=O)C(C2=O)/C=C\3/N(c4c(cccc4)C3(C)C)CC)/C(c5c1cccc5)(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN1c2ccccc2C(C1=CC3C(=O)C(C3=O)C=C4C(c5ccccc5N4CC)(C)C)(C)C |