Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N)c3cccc(c1cc2c(nc1)NC(=O)N2C)c3 |
InChI | InChI | 1.03 | InChI=1S/C14H12N4O2/c1-18-11-6-10(7-16-13(11)17-14(18)20)8-3-2-4-9(5-8)12(15)19/h2-7H,1H3,(H2,15,19)(H,16,17,20) |
InChIKey | InChI | 1.03 | ROERWVFKCQTDPS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=O)Nc2ncc(cc12)c3cccc(c3)C(N)=O |
SMILES | CACTVS | 3.370 | CN1C(=O)Nc2ncc(cc12)c3cccc(c3)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1c2cc(cnc2NC1=O)c3cccc(c3)C(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1c2cc(cnc2NC1=O)c3cccc(c3)C(=O)N |