Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c2c3ccccc3nc(c1ccccc1)c2)N6CCC(Cc5cc4ccc(nc4cc5)C)CC6 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc2cc(CC3CCN(CC3)C(=O)c4cc(nc5ccccc45)c6ccccc6)ccc2n1 |
SMILES | CACTVS | 3.341 | Cc1ccc2cc(CC3CCN(CC3)C(=O)c4cc(nc5ccccc45)c6ccccc6)ccc2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4cc(nc5c4cccc5)c6ccccc6 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4cc(nc5c4cccc5)c6ccccc6 |
InChI | InChI | 1.03 | InChI=1S/C32H29N3O/c1-22-11-13-26-20-24(12-14-29(26)33-22)19-23-15-17-35(18-16-23)32(36)28-21-31(25-7-3-2-4-8-25)34-30-10-6-5-9-27(28)30/h2-14,20-21,23H,15-19H2,1H3 |
InChIKey | InChI | 1.03 | OZINPIJMBCNUEN-UHFFFAOYSA-N |