Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCC(=O)N1CCC(C1)Oc1nc(cc2ccccc12)C=1NC(=O)NN=1 |
InChI | InChI | 1.03 | InChI=1S/C18H19N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h3-6,9,12H,2,7-8,10H2,1H3,(H2,20,21,22,25)/t12-/m0/s1 |
InChIKey | InChI | 1.03 | HTXPJYDZXSMZTC-LBPRGKRZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CC[C@@H](C1)Oc2nc(cc3ccccc23)C4=NNC(=O)N4 |
SMILES | CACTVS | 3.385 | CCC(=O)N1CC[CH](C1)Oc2nc(cc3ccccc23)C4=NNC(=O)N4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CC[C@@H](C1)Oc2c3ccccc3cc(n2)C4=NNC(=O)N4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCC(C1)Oc2c3ccccc3cc(n2)C4=NNC(=O)N4 |