Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N4CCN(C3c1c(cccc1)c2ccccc23)CC4)c6ccc5nccc5c6 |
SMILES_CANONICAL | CACTVS | 3.341 | O=C(N1CCN(CC1)C2c3ccccc3c4ccccc24)c5ccc6[nH]ccc6c5 |
SMILES | CACTVS | 3.341 | O=C(N1CCN(CC1)C2c3ccccc3c4ccccc24)c5ccc6[nH]ccc6c5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)-c3ccccc3C2N4CCN(CC4)C(=O)c5ccc6c(c5)cc[nH]6 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)-c3ccccc3C2N4CCN(CC4)C(=O)c5ccc6c(c5)cc[nH]6 |
InChI | InChI | 1.03 | InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2 |
InChIKey | InChI | 1.03 | YYMZSGIXLQPFAC-UHFFFAOYSA-N |