| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c21cc(OC(C)C)c(cc1nccc2OC3CCCNC3)C(N)=O |
| InChI | InChI | 1.03 | InChI=1S/C18H23N3O3/c1-11(2)23-17-9-13-15(8-14(17)18(19)22)21-7-5-16(13)24-12-4-3-6-20-10-12/h5,7-9,11-12,20H,3-4,6,10H2,1-2H3,(H2,19,22)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | WFDCRJQKOODGGI-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1cc2c(O[C@@H]3CCCNC3)ccnc2cc1C(N)=O |
| SMILES | CACTVS | 3.385 | CC(C)Oc1cc2c(O[CH]3CCCNC3)ccnc2cc1C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)Oc1cc2c(ccnc2cc1C(=O)N)O[C@@H]3CCCNC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)Oc1cc2c(ccnc2cc1C(=O)N)OC3CCCNC3 |
