Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(OCC)c1c(c(c(n1CC)C)C(=O)N3CCN(Cc2ccccc2)CC3)C |
SMILES_CANONICAL | CACTVS | 3.352 | CCOC(=O)c1n(CC)c(C)c(c1C)C(=O)N2CCN(CC2)Cc3ccccc3 |
SMILES | CACTVS | 3.352 | CCOC(=O)c1n(CC)c(C)c(c1C)C(=O)N2CCN(CC2)Cc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCn1c(c(c(c1C(=O)OCC)C)C(=O)N2CCN(CC2)Cc3ccccc3)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CCn1c(c(c(c1C(=O)OCC)C)C(=O)N2CCN(CC2)Cc3ccccc3)C |
InChI | InChI | 1.03 | InChI=1S/C23H31N3O3/c1-5-26-18(4)20(17(3)21(26)23(28)29-6-2)22(27)25-14-12-24(13-15-25)16-19-10-8-7-9-11-19/h7-11H,5-6,12-16H2,1-4H3 |
InChIKey | InChI | 1.03 | BEPDKTMMVYTHND-UHFFFAOYSA-N |