種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C1(CC1)NC(C3(CN(C(NCC2CC2)=O)C(C)CN3)C)=O |
InChI | InChI | 1.03 | InChI=1S/C15H26N4O2/c1-10-7-17-15(2,13(20)18-12-5-6-12)9-19(10)14(21)16-8-11-3-4-11/h10-12,17H,3-9H2,1-2H3,(H,16,21)(H,18,20)/t10-,15-/m0/s1 |
InChIKey | InChI | 1.03 | SXNUQDJHCXDWNX-BONVTDFDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CN[C@@](C)(CN1C(=O)NCC2CC2)C(=O)NC3CC3 |
SMILES | CACTVS | 3.385 | C[CH]1CN[C](C)(CN1C(=O)NCC2CC2)C(=O)NC3CC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1CN[C@](CN1C(=O)NCC2CC2)(C)C(=O)NC3CC3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1CNC(CN1C(=O)NCC2CC2)(C)C(=O)NC3CC3 |