Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NO)CC(n1nncc1CNC(=O)c2ccc(F)cc2)Cc4cc3ccccc3cc4 |
InChI | InChI | 1.03 | InChI=1S/C24H22FN5O3/c25-20-9-7-18(8-10-20)24(32)26-14-22-15-27-29-30(22)21(13-23(31)28-33)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,15,21,33H,12-14H2,(H,26,32)(H,28,31)/t21-/m1/s1 |
InChIKey | InChI | 1.03 | RJVYTCJRTAVEBT-OAQYLSRUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)C[C@@H](Cc1ccc2ccccc2c1)n3nncc3CNC(=O)c4ccc(F)cc4 |
SMILES | CACTVS | 3.385 | ONC(=O)C[CH](Cc1ccc2ccccc2c1)n3nncc3CNC(=O)c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3c(cnn3)CNC(=O)c4ccc(cc4)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2cc(ccc2c1)CC(CC(=O)NO)n3c(cnn3)CNC(=O)c4ccc(cc4)F |