種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Cc1c(NC(C)=O)cc(cc1)NC(=O)c4ccc2c(c(nn2C)c3ccc(cc3C)N)c4 |
InChI | InChI | 1.03 | InChI=1S/C25H25N5O2/c1-14-5-8-19(13-22(14)27-16(3)31)28-25(32)17-6-10-23-21(12-17)24(29-30(23)4)20-9-7-18(26)11-15(20)2/h5-13H,26H2,1-4H3,(H,27,31)(H,28,32) |
InChIKey | InChI | 1.03 | VDECLLOCJJYNOL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(c2ccc(N)cc2C)c3cc(ccc13)C(=O)Nc4ccc(C)c(NC(C)=O)c4 |
SMILES | CACTVS | 3.385 | Cn1nc(c2ccc(N)cc2C)c3cc(ccc13)C(=O)Nc4ccc(C)c(NC(C)=O)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1NC(=O)C)NC(=O)c2ccc3c(c2)c(nn3C)c4ccc(cc4C)N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1NC(=O)C)NC(=O)c2ccc3c(c2)c(nn3C)c4ccc(cc4C)N |