種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CC(C)C(=O)Nc1cc2c(nc(cc2N2CCC2)c2ccc(C)cc2)cc1 |
InChI | InChI | 1.06 | InChI=1S/C23H25N3O/c1-15(2)23(27)24-18-9-10-20-19(13-18)22(26-11-4-12-26)14-21(25-20)17-7-5-16(3)6-8-17/h5-10,13-15H,4,11-12H2,1-3H3,(H,24,27) |
InChIKey | InChI | 1.06 | AFBJKYFELZJATR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C(=O)Nc1ccc2nc(cc(N3CCC3)c2c1)c4ccc(C)cc4 |
SMILES | CACTVS | 3.385 | CC(C)C(=O)Nc1ccc2nc(cc(N3CCC3)c2c1)c4ccc(C)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)c2cc(c3cc(ccc3n2)NC(=O)C(C)C)N4CCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)c2cc(c3cc(ccc3n2)NC(=O)C(C)C)N4CCC4 |