Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H29N3O/c1-24(2)22-16-26(13-17-9-5-8-12-23(17)27-4)15-20(22)19-14-25(3)21-11-7-6-10-18(19)21/h5-12,14,20,22H,13,15-16H2,1-4H3/t20-,22+/m1/s1 |
InChIKey | InChI | 1.03 | CXQQECCQTKSQKN-IRLDBZIGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1CN2C[C@@H]([C@H](C2)c3cn(C)c4ccccc34)N(C)C |
SMILES | CACTVS | 3.385 | COc1ccccc1CN2C[CH]([CH](C2)c3cn(C)c4ccccc34)N(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4ccccc4OC |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(c2c1cccc2)C3CN(CC3N(C)C)Cc4ccccc4OC |