種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C6N=Cc5c6c2c1c(cc(OC(C)C)cc1)CCc2c4c5c3ccccc3n4CCO |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)Oc1ccc2c(CCc3c4n(CCO)c5ccccc5c4c6C=NC(=O)c6c23)c1 |
SMILES | CACTVS | 3.341 | CC(C)Oc1ccc2c(CCc3c4n(CCO)c5ccccc5c4c6C=NC(=O)c6c23)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)Oc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)C=NC4=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)Oc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)C=NC4=O |
InChI | InChI | 1.03 | InChI=1S/C27H24N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13-15,30H,7,9,11-12H2,1-2H3 |
InChIKey | InChI | 1.03 | FGKKIHITEICGMN-UHFFFAOYSA-N |