Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c5(ccc(C(=O)NC1(CC1)c2ccc3c(n2)CCCN3c4ccnc(n4)C)cc5)F |
InChI | InChI | 1.03 | InChI=1S/C23H22FN5O/c1-15-25-13-10-21(26-15)29-14-2-3-18-19(29)8-9-20(27-18)23(11-12-23)28-22(30)16-4-6-17(24)7-5-16/h4-10,13H,2-3,11-12,14H2,1H3,(H,28,30) |
InChIKey | InChI | 1.03 | KKAMMYSFTPLTDH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nccc(n1)N2CCCc3nc(ccc23)C4(CC4)NC(=O)c5ccc(F)cc5 |
SMILES | CACTVS | 3.385 | Cc1nccc(n1)N2CCCc3nc(ccc23)C4(CC4)NC(=O)c5ccc(F)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nccc(n1)N2CCCc3c2ccc(n3)C4(CC4)NC(=O)c5ccc(cc5)F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nccc(n1)N2CCCc3c2ccc(n3)C4(CC4)NC(=O)c5ccc(cc5)F |