Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OC(C)C)CN |
InChI | InChI | 1.03 | InChI=1S/C20H23N3O/c1-12(2)24-19-7-5-14(9-16(19)11-21)15-4-6-17-13(3)8-20(22)23-18(17)10-15/h4-10,12H,11,21H2,1-3H3,(H2,22,23) |
InChIKey | InChI | 1.03 | RMUSFJBGBOTWMV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2 |
SMILES | CACTVS | 3.385 | CC(C)Oc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N |