Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cn(c2c1cc(cc2)Br)CC(=O)NO)Cc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C17H15BrN2O2/c18-14-6-7-16-15(9-14)13(8-12-4-2-1-3-5-12)10-20(16)11-17(21)19-22/h1-7,9-10,22H,8,11H2,(H,19,21) |
InChIKey | InChI | 1.03 | UALZWYXMMCSOBJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)Cn1cc(Cc2ccccc2)c3cc(Br)ccc13 |
SMILES | CACTVS | 3.385 | ONC(=O)Cn1cc(Cc2ccccc2)c3cc(Br)ccc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)Cc2cn(c3c2cc(cc3)Br)CC(=O)NO |
SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)Cc2cn(c3c2cc(cc3)Br)CC(=O)NO |