種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C20H25N3O2/c24-20-15-18(22-9-11-25-12-10-22)14-19(21-20)23-8-4-7-17(23)13-16-5-2-1-3-6-16/h1-3,5-6,14-15,17H,4,7-13H2,(H,21,24)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | NUUYFIBMHLLMSL-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=CC(=C1)N2CCOCC2)N3CCC[C@@H]3Cc4ccccc4 |
SMILES | CACTVS | 3.385 | O=C1NC(=CC(=C1)N2CCOCC2)N3CCC[CH]3Cc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@H]2CCCN2C3=CC(=CC(=O)N3)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2CCCN2C3=CC(=CC(=O)N3)N4CCOCC4 |