種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C1C(=C(N(C(=O)N1)COCc2ccccc2)Cc3ccccc3)C(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C1=C(Cc2ccccc2)N(COCc3ccccc3)C(=O)NC1=O |
SMILES | CACTVS | 3.341 | CC(C)C1=C(Cc2ccccc2)N(COCc3ccccc3)C(=O)NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26) |
InChIKey | InChI | 1.03 | KSAAUHMSLCPIEX-UHFFFAOYSA-N |