Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1N(CCN(C1)C(c4ccc(c3nc2c(cccc2)o3)cc4)=O)C(C5(CC5)O)=O |
InChI | InChI | 1.03 | InChI=1S/C22H21N3O4/c26-20(24-11-13-25(14-12-24)21(27)22(28)9-10-22)16-7-5-15(6-8-16)19-23-17-3-1-2-4-18(17)29-19/h1-8,28H,9-14H2 |
InChIKey | InChI | 1.03 | FGXGECPNCZCUAJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC1(CC1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)c4oc5ccccc5n4 |
SMILES | CACTVS | 3.385 | OC1(CC1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)c4oc5ccccc5n4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(o2)c3ccc(cc3)C(=O)N4CCN(CC4)C(=O)C5(CC5)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(o2)c3ccc(cc3)C(=O)N4CCN(CC4)C(=O)C5(CC5)O |