Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N3C(C2=Cc4c(N(c1ccc(cc1)O)C2=NC3=O)cc(cc4)C#N)=O |
InChI | InChI | 1.03 | InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25) |
InChIKey | InChI | 1.03 | JAOMIQIQBBRLQX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)N2c3cc(ccc3C=C4C(=O)NC(=O)N=C24)C#N |
SMILES | CACTVS | 3.385 | Oc1ccc(cc1)N2c3cc(ccc3C=C4C(=O)NC(=O)N=C24)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O |