Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(c1c(cc(cc1C)C)C)c2nc(cc(c2C)NC(CC)CC)C |
InChI | InChI | 1.03 | InChI=1S/C21H30N2O/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3,(H,22,23) |
InChIKey | InChI | 1.03 | VIZBSVDBNLAVAW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C |
SMILES | CACTVS | 3.370 | CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(CC)Nc1cc(nc(c1C)Oc2c(cc(cc2C)C)C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC(CC)Nc1cc(nc(c1C)Oc2c(cc(cc2C)C)C)C |