種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c3c(CNCC2CCC1CC2C1(C)C)ccc(C(NO)=O)c3 |
InChI | InChI | 1.03 | InChI=1S/C18H26N2O2/c1-18(2)15-8-7-14(16(18)9-15)11-19-10-12-3-5-13(6-4-12)17(21)20-22/h3-6,14-16,19,22H,7-11H2,1-2H3,(H,20,21)/t14-,15+,16+/m0/s1 |
InChIKey | InChI | 1.03 | JDQKGQWEIJPQSI-ARFHVFGLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)[C@@H]2CC[C@@H](CNCc3ccc(cc3)C(=O)NO)[C@H]1C2 |
SMILES | CACTVS | 3.385 | CC1(C)[CH]2CC[CH](CNCc3ccc(cc3)C(=O)NO)[CH]1C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1([C@@H]2CC[C@H]([C@H]1C2)CNCc3ccc(cc3)C(=O)NO)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C2CCC(C1C2)CNCc3ccc(cc3)C(=O)NO)C |