N-[4-bromanyl-3-(trifluoromethyl)phenyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-keto-2H-isoquinoline-3-carboxamide Formula: C17H10BrF3N2O2 MolecularWeight: 411.17271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C17H10BrF3N2O2/c18-13-6-5-10(8-12(13)17(19,20)21)22-16(25)14-7-9-3-1-2-4-11(9)15(24)23-14/h1-8H,(H,22,25)(H,23,24)