Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(Nc2ccc(c1ccccc1)cc2)CCn3nnc(c3)c6c4cc(C(=O)O)c(O)cc4n(c6c5ccccc5)C |
SMILES_CANONICAL | CACTVS | 3.352 | Cn1c2cc(O)c(cc2c(c3cn(CCC(=O)Nc4ccc(cc4)c5ccccc5)nn3)c1c6ccccc6)C(O)=O |
SMILES | CACTVS | 3.352 | Cn1c2cc(O)c(cc2c(c3cn(CCC(=O)Nc4ccc(cc4)c5ccccc5)nn3)c1c6ccccc6)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cn1c2cc(c(cc2c(c1c3ccccc3)c4cn(nn4)CCC(=O)Nc5ccc(cc5)c6ccccc6)C(=O)O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | Cn1c2cc(c(cc2c(c1c3ccccc3)c4cn(nn4)CCC(=O)Nc5ccc(cc5)c6ccccc6)C(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C33H27N5O4/c1-37-28-19-29(39)26(33(41)42)18-25(28)31(32(37)23-10-6-3-7-11-23)27-20-38(36-35-27)17-16-30(40)34-24-14-12-22(13-15-24)21-8-4-2-5-9-21/h2-15,18-20,39H,16-17H2,1H3,(H,34,40)(H,41,42) |
InChIKey | InChI | 1.03 | RATFAFAWIWHLMR-UHFFFAOYSA-N |