Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(N1CCC(CC1)O)C(c2cc(C)n(c2C)c3ccc(C#N)cc3)=O |
InChI | InChI | 1.03 | InChI=1S/C20H23N3O2/c1-14-11-19(20(25)13-22-9-7-18(24)8-10-22)15(2)23(14)17-5-3-16(12-21)4-6-17/h3-6,11,18,24H,7-10,13H2,1-2H3 |
InChIKey | InChI | 1.03 | WFOUOZGIXDMUJU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(c(C)n1c2ccc(cc2)C#N)C(=O)CN3CCC(O)CC3 |
SMILES | CACTVS | 3.385 | Cc1cc(c(C)n1c2ccc(cc2)C#N)C(=O)CN3CCC(O)CC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(c(n1c2ccc(cc2)C#N)C)C(=O)CN3CCC(CC3)O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(c(n1c2ccc(cc2)C#N)C)C(=O)CN3CCC(CC3)O |