Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(=O)NCCc1c[NH]c2c(CN3CCN(CC3)C(C)=O)cccc21 |
InChI | InChI | 1.06 | InChI=1S/C19H26N4O2/c1-14(24)20-7-6-16-12-21-19-17(4-3-5-18(16)19)13-22-8-10-23(11-9-22)15(2)25/h3-5,12,21H,6-11,13H2,1-2H3,(H,20,24) |
InChIKey | InChI | 1.06 | KKPILUQDBWPVTM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCc1c[nH]c2c(CN3CCN(CC3)C(C)=O)cccc12 |
SMILES | CACTVS | 3.385 | CC(=O)NCCc1c[nH]c2c(CN3CCN(CC3)C(C)=O)cccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCc1c[nH]c2c1cccc2CN3CCN(CC3)C(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCc1c[nH]c2c1cccc2CN3CCN(CC3)C(=O)C |