Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1)c2cnnc2c3cc(nc3)C(=O)NCc5cc4c(OCC4)cc5 |
InChI | InChI | 1.03 | InChI=1S/C23H19ClN4O2/c24-18-3-1-2-15(9-18)19-13-27-28-22(19)17-10-20(25-12-17)23(29)26-11-14-4-5-21-16(8-14)6-7-30-21/h1-5,8-10,12-13,25H,6-7,11H2,(H,26,29)(H,27,28) |
InChIKey | InChI | 1.03 | IVRHNXDBTVKZAH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Clc1cccc(c1)c2cn[nH]c2c3c[nH]c(c3)C(=O)NCc4ccc5OCCc5c4 |
SMILES | CACTVS | 3.370 | Clc1cccc(c1)c2cn[nH]c2c3c[nH]c(c3)C(=O)NCc4ccc5OCCc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)NCc4ccc5c(c4)CCO5 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)NCc4ccc5c(c4)CCO5 |