Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2cc1c3c(nc1cc2)C(C(=O)N)CCCC3 |
InChI | InChI | 1.03 | InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | ABIVOOWWGYJNLV-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)[C@H]1CCCCc2c1[nH]c3ccc(Cl)cc23 |
SMILES | CACTVS | 3.370 | NC(=O)[CH]1CCCCc2c1[nH]c3ccc(Cl)cc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)c3c([nH]2)C(CCCC3)C(=O)N |