Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1ccc(cc1)\C=C2/Oc3c(cccc3C2=O)C(=O)N)N6Cc5nnc(C4CC4)n5CC6 |
InChI | InChI | 1.03 | InChI=1S/C25H21N5O4/c26-23(32)18-3-1-2-17-21(31)19(34-22(17)18)12-14-4-6-16(7-5-14)25(33)29-10-11-30-20(13-29)27-28-24(30)15-8-9-15/h1-7,12,15H,8-11,13H2,(H2,26,32)/b19-12- |
InChIKey | InChI | 1.03 | JJCAYWVTBMMQMQ-UNOMPAQXSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cccc2C(=O)/C(Oc12)=C/c3ccc(cc3)C(=O)N4CCn5c(C4)nnc5C6CC6 |
SMILES | CACTVS | 3.385 | NC(=O)c1cccc2C(=O)C(Oc12)=Cc3ccc(cc3)C(=O)N4CCn5c(C4)nnc5C6CC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)C(=O)N4CCn5c(nnc5C6CC6)C4)/C2=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)C(=O)N)OC(=Cc3ccc(cc3)C(=O)N4CCn5c(nnc5C6CC6)C4)C2=O |