Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C22H22N4O/c1-15-4-3-5-17(10-15)12-26(2)22-19-11-20(25-21(19)23-14-24-22)18-8-6-16(13-27)7-9-18/h3-11,14,27H,12-13H2,1-2H3,(H,23,24,25) |
InChIKey | InChI | 1.06 | KXUSCHVJJBSONI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1cccc(C)c1)c2ncnc3[nH]c(cc23)c4ccc(CO)cc4 |
SMILES | CACTVS | 3.385 | CN(Cc1cccc(C)c1)c2ncnc3[nH]c(cc23)c4ccc(CO)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)CN(C)c2c3cc([nH]c3ncn2)c4ccc(cc4)CO |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)CN(C)c2c3cc([nH]c3ncn2)c4ccc(cc4)CO |