Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c3cccc1c3nc(n1)c2cccc(OC)c2)N |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cccc(c1)c2[nH]c3cccc(C(N)=O)c3n2 |
SMILES | CACTVS | 3.341 | COc1cccc(c1)c2[nH]c3cccc(C(N)=O)c3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18) |
InChIKey | InChI | 1.03 | NVVWVYYHTKCIAE-UHFFFAOYSA-N |