Type | Program | Version | Descriptor |
SMILES | ACDLabs | 14.52 | NC(=O)C1CCC(=O)N(C1)Cc1nn(C)c2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C15H18N4O2/c1-18-13-5-3-2-4-11(13)12(17-18)9-19-8-10(15(16)21)6-7-14(19)20/h2-5,10H,6-9H2,1H3,(H2,16,21)/t10-/m0/s1 |
InChIKey | InChI | 1.06 | UHXKXPHIDBJBOP-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(CN2C[C@H](CCC2=O)C(N)=O)c3ccccc13 |
SMILES | CACTVS | 3.385 | Cn1nc(CN2C[CH](CCC2=O)C(N)=O)c3ccccc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1c2ccccc2c(n1)CN3C[C@H](CCC3=O)C(=O)N |
SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1c2ccccc2c(n1)CN3CC(CCC3=O)C(=O)N |