Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCC(=O)N(CCCCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1 |
InChI | InChI | 1.03 | InChI=1S/C23H39N5O/c1-2-22(29)28(16-9-4-3-8-15-26-23(24)25)21-13-18-27(19-14-21)17-12-20-10-6-5-7-11-20/h5-7,10-11,21H,2-4,8-9,12-19H2,1H3,(H4,24,25,26) |
InChIKey | InChI | 1.03 | DFIQEYNYBQJLCL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N(CCCCCCNC(N)=N)C1CCN(CC1)CCc2ccccc2 |
SMILES | CACTVS | 3.385 | CCC(=O)N(CCCCCCNC(N)=N)C1CCN(CC1)CCc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/NCCCCCCN(C1CCN(CC1)CCc2ccccc2)C(=O)CC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(CCCCCCNC(=N)N)C1CCN(CC1)CCc2ccccc2 |