N-[3,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C20H15F6N3O2 MolecularWeight: 443.342419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F6N3O2/c1-2-7-29-18(31)15-6-4-3-5-14(15)16(28-29)17(30)27-13-9-11(19(21,22)23)8-12(10-13)20(24,25)26/h3-6,8-10H,2,7H2,1H3,(H,27,30)