Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c14OCOc1c(CC3CCc2cnc(n2C3)N)ccc4 |
InChI | InChI | 1.03 | InChI=1S/C15H17N3O2/c16-15-17-7-12-5-4-10(8-18(12)15)6-11-2-1-3-13-14(11)20-9-19-13/h1-3,7,10H,4-6,8-9H2,(H2,16,17)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | GXMMFNNBTMLUSG-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncc2CC[C@H](Cn12)Cc3cccc4OCOc34 |
SMILES | CACTVS | 3.385 | Nc1ncc2CC[CH](Cn12)Cc3cccc4OCOc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c2c(c1)OCO2)C[C@@H]3CCc4cnc(n4C3)N |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c2c(c1)OCO2)CC3CCc4cnc(n4C3)N |