Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c4c1ccccc1n(c2ccccc2)c4Oc3ccccc3)N5CCNCC5 |
SMILES_CANONICAL | CACTVS | 3.370 | O=C(N1CCNCC1)c2c(Oc3ccccc3)n(c4ccccc4)c5ccccc25 |
SMILES | CACTVS | 3.370 | O=C(N1CCNCC1)c2c(Oc3ccccc3)n(c4ccccc4)c5ccccc25 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)n2c3ccccc3c(c2Oc4ccccc4)C(=O)N5CCNCC5 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)n2c3ccccc3c(c2Oc4ccccc4)C(=O)N5CCNCC5 |
InChI | InChI | 1.03 | InChI=1S/C25H23N3O2/c29-24(27-17-15-26-16-18-27)23-21-13-7-8-14-22(21)28(19-9-3-1-4-10-19)25(23)30-20-11-5-2-6-12-20/h1-14,26H,15-18H2 |
InChIKey | InChI | 1.03 | PAQQZWUEZAUGRI-UHFFFAOYSA-N |