Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(c1nnc(o1)c2ncccc2)CCCCCCC\C=C/CCCCCCCC |
SMILES_CANONICAL | CACTVS | 3.352 | CCCCCCCC\C=C/CCCCCCCC(=O)c1oc(nn1)c2ccccn2 |
SMILES | CACTVS | 3.352 | CCCCCCCCC=CCCCCCCCC(=O)c1oc(nn1)c2ccccn2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(o1)c2ccccn2 |
SMILES | OpenEye OEToolkits | 1.7.0 | CCCCCCCCC=CCCCCCCCC(=O)c1nnc(o1)c2ccccn2 |
InChI | InChI | 1.03 | InChI=1S/C25H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(29)25-28-27-24(30-25)22-19-17-18-21-26-22/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9- |
InChIKey | InChI | 1.03 | SUSLQAWJWPTQHX-KTKRTIGZSA-N |