Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N#Cc3ccc(c1cnc2ccc(nn12)NC(C(C)C)CO)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C#N |
SMILES | CACTVS | 3.341 | CC(C)[CH](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C#N |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C#N |
InChI | InChI | 1.03 | InChI=1S/C18H19N5O/c1-12(2)15(11-24)21-17-7-8-18-20-10-16(23(18)22-17)14-5-3-13(9-19)4-6-14/h3-8,10,12,15,24H,11H2,1-2H3,(H,21,22)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | CQZVJEKKNHOFNB-OAHLLOKOSA-N |