3-(2-methylpropyl)-4-oxidanylidene-N-[2,3,4-tris(fluoranyl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-[2,3,4-tris(fluoranyl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-(2,3,4-trifluorophenyl)phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-(2,3,4-trifluorophenyl)-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N-(2,3,4-trifluorophenyl)phthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(2,3,4-trifluorophenyl)phthalazine-1-carboxamide Formula: C19H16F3N3O2 MolecularWeight: 375.34445

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C19H16F3N3O2/c1-10(2)9-25-19(27)12-6-4-3-5-11(12)17(24-25)18(26)23-14-8-7-13(20)15(21)16(14)22/h3-8,10H,9H2,1-2H3,(H,23,26)