Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCc4ccc(c2ccc(n1ccnc1)cc2)n4c3c(cc(C(=O)N)cc3)C |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(ccc1n2c(CCC(O)=O)ccc2c3ccc(cc3)n4ccnc4)C(N)=O |
SMILES | CACTVS | 3.370 | Cc1cc(ccc1n2c(CCC(O)=O)ccc2c3ccc(cc3)n4ccnc4)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(ccc1n2c(ccc2c3ccc(cc3)n4ccnc4)CCC(=O)O)C(=O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(ccc1n2c(ccc2c3ccc(cc3)n4ccnc4)CCC(=O)O)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C24H22N4O3/c1-16-14-18(24(25)31)4-9-21(16)28-20(8-11-23(29)30)7-10-22(28)17-2-5-19(6-3-17)27-13-12-26-15-27/h2-7,9-10,12-15H,8,11H2,1H3,(H2,25,31)(H,29,30) |
InChIKey | InChI | 1.03 | YVPGZQLRPAGKLA-UHFFFAOYSA-N |