Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(c(cc1)C)n4c(C(=O)N)cc(c2ncnn3cccc23)c4 |
InChI | InChI | 1.03 | InChI=1S/C18H14ClN5O/c1-11-4-5-13(19)8-15(11)23-9-12(7-16(23)18(20)25)17-14-3-2-6-24(14)22-10-21-17/h2-10H,1H3,(H2,20,25) |
InChIKey | InChI | 1.03 | LCPNDRXSKAUPSE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(Cl)cc1n2cc(cc2C(N)=O)c3ncnn4cccc34 |
SMILES | CACTVS | 3.385 | Cc1ccc(Cl)cc1n2cc(cc2C(N)=O)c3ncnn4cccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1n2cc(cc2C(=O)N)c3c4cccn4ncn3)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1n2cc(cc2C(=O)N)c3c4cccn4ncn3)Cl |