種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(NCCOC)c3ccc(c1ccc2c(c1)NC(=O)C=C2C)c(Cl)c3 |
InChI | InChI | 1.03 | InChI=1S/C20H19ClN2O3/c1-12-9-19(24)23-18-11-13(3-5-15(12)18)16-6-4-14(10-17(16)21)20(25)22-7-8-26-2/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)(H,23,24) |
InChIKey | InChI | 1.03 | BENWFAKBOBCZKA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COCCNC(=O)c1ccc(c(Cl)c1)c2ccc3C(=CC(=O)Nc3c2)C |
SMILES | CACTVS | 3.370 | COCCNC(=O)c1ccc(c(Cl)c1)c2ccc3C(=CC(=O)Nc3c2)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCOC |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCOC |