Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCC(=O)Nc1cc(ccc1)c2c(cnc2)CN(C)CCN |
InChI | InChI | 1.03 | InChI=1S/C17H24N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h4-6,9-11,19H,3,7-8,12,18H2,1-2H3,(H,20,22) |
InChIKey | InChI | 1.03 | ZXTYIIDDTFQCGV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1cccc(c1)c2c[nH]cc2CN(C)CCN |
SMILES | CACTVS | 3.385 | CCC(=O)Nc1cccc(c1)c2c[nH]cc2CN(C)CCN |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1cccc(c1)c2c[nH]cc2CN(C)CCN |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1cccc(c1)c2c[nH]cc2CN(C)CCN |