種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(N(C)C)c4cc(c1cc2c(nc1)ncc2c3ccccc3OC)cnc4 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccccc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C |
SMILES | CACTVS | 3.341 | COc1ccccc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4ccccc4OC |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4ccccc4OC |
InChI | InChI | 1.03 | InChI=1S/C22H20N4O2/c1-26(2)22(27)16-8-14(10-23-11-16)15-9-18-19(13-25-21(18)24-12-15)17-6-4-5-7-20(17)28-3/h4-13H,1-3H3,(H,24,25) |
InChIKey | InChI | 1.03 | GYQRHHQPEMOLKH-UHFFFAOYSA-N |