3-butyl-N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C20H17ClF3N3O2 MolecularWeight: 423.81609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H17ClF3N3O2/c1-2-3-10-27-19(29)14-7-5-4-6-13(14)17(26-27)18(28)25-12-8-9-16(21)15(11-12)20(22,23)24/h4-9,11H,2-3,10H2,1H3,(H,25,28)