Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1c5cc(O)ccc5N=C(N1Cc4ccc(c2ccccc2c3nnnn3)cc4)CCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCC1=Nc2ccc(O)cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5 |
SMILES | CACTVS | 3.341 | CCCCC1=Nc2ccc(O)cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)O |
InChI | InChI | 1.03 | InChI=1S/C26H24N6O2/c1-2-3-8-24-27-23-14-13-19(33)15-22(23)26(34)32(24)16-17-9-11-18(12-10-17)20-6-4-5-7-21(20)25-28-30-31-29-25/h4-7,9-15,33H,2-3,8,16H2,1H3,(H,28,29,30,31) |
InChIKey | InChI | 1.03 | UNVNHFHIKCWHHG-UHFFFAOYSA-N |