種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C1N=C(Nc2ccccc12)CN(C)CC(=O)N4c3ccccc3CCC4 |
InChI | InChI | 1.03 | InChI=1S/C21H22N4O2/c1-24(13-19-22-17-10-4-3-9-16(17)21(27)23-19)14-20(26)25-12-6-8-15-7-2-5-11-18(15)25/h2-5,7,9-11H,6,8,12-14H2,1H3,(H,22,23,27) |
InChIKey | InChI | 1.03 | MTDOUFMMCOQZJF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN(CC(=O)N1CCCc2ccccc12)CC3=NC(=O)c4ccccc4N3 |
SMILES | CACTVS | 3.370 | CN(CC(=O)N1CCCc2ccccc12)CC3=NC(=O)c4ccccc4N3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(CC1=NC(=O)c2ccccc2N1)CC(=O)N3CCCc4c3cccc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CN(CC1=NC(=O)c2ccccc2N1)CC(=O)N3CCCc4c3cccc4 |