Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(=C\CCC(=C/CNCCNC3C1CC2CC3CC(C1)C2)\C)(\C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)=CCCC(\C)=C/CNCCNC1C2CC3CC(C2)CC1C3 |
SMILES | CACTVS | 3.370 | CC(C)=CCCC(C)=CCNCCNC1C2CC3CC(C2)CC1C3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(=CCC/C(=C\CNCCNC1C2CC3CC(C2)CC1C3)/C)C |
SMILES | OpenEye OEToolkits | 1.7.2 | CC(=CCCC(=CCNCCNC1C2CC3CC(C2)CC1C3)C)C |
InChI | InChI | 1.03 | InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7-/t18-,19+,20-,21+,22- |
InChIKey | InChI | 1.03 | JFIBVDBTCDTBRH-MDXVBTBDSA-N |