種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(N(C)Cc1c(N)ccc(c1)C(=O)N(C)Cc3cc2ccccc2n3C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN(Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C)C(C)=O |
SMILES | CACTVS | 3.341 | CN(Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C)C(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C |
InChI | InChI | 1.03 | InChI=1S/C22H26N4O2/c1-15(27)24(2)13-18-11-17(9-10-20(18)23)22(28)25(3)14-19-12-16-7-5-6-8-21(16)26(19)4/h5-12H,13-14,23H2,1-4H3 |
InChIKey | InChI | 1.03 | AWTBJNJPBKTHEV-UHFFFAOYSA-N |