Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1cccc(c1)c1nc2ccccc2o1 |
InChI | InChI | 1.03 | InChI=1S/C22H19N5O3/c1-26-19(16(13-23-26)22(29)27-10-5-11-27)20(28)24-15-7-4-6-14(12-15)21-25-17-8-2-3-9-18(17)30-21/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,24,28) |
InChIKey | InChI | 1.03 | CZDAVTCJJVIGRW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cccc(c3)c4oc5ccccc5n4 |
SMILES | CACTVS | 3.385 | Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cccc(c3)c4oc5ccccc5n4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3cccc(c3)c4nc5ccccc5o4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)N2CCC2)C(=O)Nc3cccc(c3)c4nc5ccccc5o4 |