Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1cc(cc(OC)c1OC)Nc1ccnc2cc(ccc12)C#N |
InChI | InChI | 1.03 | InChI=1S/C19H17N3O3/c1-23-17-9-13(10-18(24-2)19(17)25-3)22-15-6-7-21-16-8-12(11-20)4-5-14(15)16/h4-10H,1-3H3,(H,21,22) |
InChIKey | InChI | 1.03 | BLWQIEISIMYCHD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(Nc2ccnc3cc(ccc23)C#N)cc(OC)c1OC |
SMILES | CACTVS | 3.385 | COc1cc(Nc2ccnc3cc(ccc23)C#N)cc(OC)c1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1OC)OC)Nc2ccnc3c2ccc(c3)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1OC)OC)Nc2ccnc3c2ccc(c3)C#N |