Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1N(C(=[N@H])NC1(CC3CCCC(NC2CCCC2)C3)CCC4CCCCC4)C |
InChI | InChI | 1.03 | InChI=1S/C24H42N4O/c1-28-22(29)24(27-23(28)25,15-14-18-8-3-2-4-9-18)17-19-10-7-13-21(16-19)26-20-11-5-6-12-20/h18-21,26H,2-17H2,1H3,(H2,25,27)/t19-,21+,24+/m0/s1 |
InChIKey | InChI | 1.03 | NOZCXTAZEGFFAQ-XZDHIHRUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]3CCC[C@H](C3)NC4CCCC4)C1=O |
SMILES | CACTVS | 3.385 | CN1C(=N)N[C](CCC2CCCCC2)(C[CH]3CCC[CH](C3)NC4CCCC4)C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC4CCCC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1C(=O)C(NC1=N)(CCC2CCCCC2)CC3CCCC(C3)NC4CCCC4 |