Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C15(CNc2c1c(ccc2)Cl)CCN(C=4NC(C=3CCCCC=3N=4)=O)CC5 |
InChI | InChI | 1.03 | InChI=1S/C20H23ClN4O/c21-14-5-3-7-16-17(14)20(12-22-16)8-10-25(11-9-20)19-23-15-6-2-1-4-13(15)18(26)24-19/h3,5,7,22H,1-2,4,6,8-12H2,(H,23,24,26) |
InChIKey | InChI | 1.03 | VYNMMNYWFMDPRI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc2NCC3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)c12 |
SMILES | CACTVS | 3.385 | Clc1cccc2NCC3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)Cl)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CN2 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)Cl)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CN2 |