Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c3c1ccccc1cc2ccccc23)N6CCC(Cc5cc4ccc(nc4cc5)C)CC6 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc2cc(CC3CCN(CC3)C(=O)c4c5ccccc5cc6ccccc46)ccc2n1 |
SMILES | CACTVS | 3.341 | Cc1ccc2cc(CC3CCN(CC3)C(=O)c4c5ccccc5cc6ccccc46)ccc2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4c5ccccc5cc6c4cccc6 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4c5ccccc5cc6c4cccc6 |
InChI | InChI | 1.03 | InChI=1S/C31H28N2O/c1-21-10-12-26-19-23(11-13-29(26)32-21)18-22-14-16-33(17-15-22)31(34)30-27-8-4-2-6-24(27)20-25-7-3-5-9-28(25)30/h2-13,19-20,22H,14-18H2,1H3 |
InChIKey | InChI | 1.03 | FVPWEZQBGAOBRM-UHFFFAOYSA-N |