Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3NC=Cc2cc(OCC1CCNC1)c(Cl)cc23 |
InChI | InChI | 1.03 | InChI=1S/C14H15ClN2O2/c15-12-6-11-10(2-4-17-14(11)18)5-13(12)19-8-9-1-3-16-7-9/h2,4-6,9,16H,1,3,7-8H2,(H,17,18)/t9-/m1/s1 |
InChIKey | InChI | 1.03 | RCMBOTAAIQVYEO-SECBINFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc2C(=O)NC=Cc2cc1OC[C@@H]3CCNC3 |
SMILES | CACTVS | 3.385 | Clc1cc2C(=O)NC=Cc2cc1OC[CH]3CCNC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c2c(cc(c1OC[C@@H]3CCNC3)Cl)C(=O)NC=C2 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1c2c(cc(c1OCC3CCNC3)Cl)C(=O)NC=C2 |