Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(cnc1)c5cc3c(OC4COCCC4C32N=C(OC2)N)cc5 |
InChI | InChI | 1.03 | InChI=1S/C19H18ClN3O3/c20-13-5-12(7-22-8-13)11-1-2-16-15(6-11)19(10-25-18(21)23-19)14-3-4-24-9-17(14)26-16/h1-2,5-8,14,17H,3-4,9-10H2,(H2,21,23)/t14-,17-,19-/m1/s1 |
InChIKey | InChI | 1.03 | BGRWOLNAPSRJIS-LSBZLQRGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC1=N[C@]2(CO1)[C@@H]3CCOC[C@H]3Oc4ccc(cc24)c5cncc(Cl)c5 |
SMILES | CACTVS | 3.385 | NC1=N[C]2(CO1)[CH]3CCOC[CH]3Oc4ccc(cc24)c5cncc(Cl)c5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@@H]5CCOC[C@H]5O2 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1c3cc(cnc3)Cl)C4(COC(=N4)N)C5CCOCC5O2 |