Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc1ccc(cc1)c2c4c(nn2)c3cc(OC)c(cc3C4)Cn5ccnc5 |
InChI | InChI | 1.03 | InChI=1S/C22H17N5O/c1-28-20-10-18-16(8-17(20)12-27-7-6-24-13-27)9-19-21(25-26-22(18)19)15-4-2-14(11-23)3-5-15/h2-8,10,13H,9,12H2,1H3,(H,25,26) |
InChIKey | InChI | 1.03 | XEPCYHKWASJTHM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc2c(Cc3c([nH]nc23)c4ccc(cc4)C#N)cc1Cn5ccnc5 |
SMILES | CACTVS | 3.370 | COc1cc2c(Cc3c([nH]nc23)c4ccc(cc4)C#N)cc1Cn5ccnc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc-2c(cc1Cn3ccnc3)Cc4c2n[nH]c4c5ccc(cc5)C#N |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc-2c(cc1Cn3ccnc3)Cc4c2n[nH]c4c5ccc(cc5)C#N |