種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c3n(Cc1ccc(cc1)C(NO)=O)c2c(cccc2)c3CCN(C)C |
InChI | InChI | 1.03 | InChI=1S/C20H23N3O2/c1-22(2)12-11-17-14-23(19-6-4-3-5-18(17)19)13-15-7-9-16(10-8-15)20(24)21-25/h3-10,14,25H,11-13H2,1-2H3,(H,21,24) |
InChIKey | InChI | 1.03 | OQQDAERWKGMJMN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13 |
SMILES | CACTVS | 3.385 | CN(C)CCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO |