Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc3ccc(c2nn(c1cc(OCCCCCCN(C\C=C)C)ccc12)C)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | CN(CCCCCCOc1ccc2c(c1)n(C)nc2c3ccc(Br)cc3)CC=C |
SMILES | CACTVS | 3.341 | CN(CCCCCCOc1ccc2c(c1)n(C)nc2c3ccc(Br)cc3)CC=C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1c2cc(ccc2c(n1)c3ccc(cc3)Br)OCCCCCC[N@](C)CC=C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cn1c2cc(ccc2c(n1)c3ccc(cc3)Br)OCCCCCCN(C)CC=C |
InChI | InChI | 1.03 | InChI=1S/C24H30BrN3O/c1-4-15-27(2)16-7-5-6-8-17-29-21-13-14-22-23(18-21)28(3)26-24(22)19-9-11-20(25)12-10-19/h4,9-14,18H,1,5-8,15-17H2,2-3H3 |
InChIKey | InChI | 1.03 | FNZKIJOTNKEJBF-UHFFFAOYSA-N |