Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | o1cc(nc1C)c3cc(c(OCCCc2onc(c2)C)c(c3)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1occ(n1)c2cc(C)c(OCCCc3onc(C)c3)c(C)c2 |
SMILES | CACTVS | 3.341 | Cc1occ(n1)c2cc(C)c(OCCCc3onc(C)c3)c(C)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3coc(n3)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3coc(n3)C |
InChI | InChI | 1.03 | InChI=1S/C19H22N2O3/c1-12-8-16(18-11-23-15(4)20-18)9-13(2)19(12)22-7-5-6-17-10-14(3)21-24-17/h8-11H,5-7H2,1-4H3 |
InChIKey | InChI | 1.03 | SLPKYEWAKMNCPT-UHFFFAOYSA-N |