Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | BrC2=C(OCc1ccccc1)C=CN(C2=O)Cc3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | BrC1=C(OCc2ccccc2)C=CN(Cc3ccccc3)C1=O |
SMILES | CACTVS | 3.341 | BrC1=C(OCc2ccccc2)C=CN(Cc3ccccc3)C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CN2C=CC(=C(C2=O)Br)OCc3ccccc3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CN2C=CC(=C(C2=O)Br)OCc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C19H16BrNO2/c20-18-17(23-14-16-9-5-2-6-10-16)11-12-21(19(18)22)13-15-7-3-1-4-8-15/h1-12H,13-14H2 |
InChIKey | InChI | 1.03 | VBZTXJCTVYBOKW-UHFFFAOYSA-N |