種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C19H23N5O/c1-23-11-14(13-6-4-3-5-7-13)10-15(12-23)21-19-22-16-8-9-20-17(16)18(25)24(19)2/h3-9,14-15,20H,10-12H2,1-2H3,(H,21,22)/t14-,15+/m0/s1 |
InChIKey | InChI | 1.03 | JRIBEBYKWORBGC-LSDHHAIUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C[C@@H](C[C@@H](C1)c2ccccc2)NC3=Nc4cc[nH]c4C(=O)N3C |
SMILES | CACTVS | 3.385 | CN1C[CH](C[CH](C1)c2ccccc2)NC3=Nc4cc[nH]c4C(=O)N3C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CC(CC(C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccccc4 |