Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1cc(NC(=O)c2cccc(c2)c2nc3c(cccc3[NH]2)C(N)=O)c(N)cc1C |
InChI | InChI | 1.06 | InChI=1S/C23H21N5O2/c1-12-9-17(24)19(10-13(12)2)27-23(30)15-6-3-5-14(11-15)22-26-18-8-4-7-16(21(25)29)20(18)28-22/h3-11H,24H2,1-2H3,(H2,25,29)(H,26,28)(H,27,30) |
InChIKey | InChI | 1.06 | HJDGBHNQHCFQSJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)c(NC(=O)c2cccc(c2)c3[nH]c4cccc(C(N)=O)c4n3)cc1C |
SMILES | CACTVS | 3.385 | Cc1cc(N)c(NC(=O)c2cccc(c2)c3[nH]c4cccc(C(N)=O)c4n3)cc1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1C)NC(=O)c2cccc(c2)c3[nH]c4cccc(c4n3)C(=O)N)N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1C)NC(=O)c2cccc(c2)c3[nH]c4cccc(c4n3)C(=O)N)N |