N-[4-bromanyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C19H15BrF3N3O2 MolecularWeight: 454.24051

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C19H15BrF3N3O2/c1-2-9-26-18(28)13-6-4-3-5-12(13)16(25-26)17(27)24-11-7-8-15(20)14(10-11)19(21,22)23/h3-8,10H,2,9H2,1H3,(H,24,27)