N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C25H23FN4O2 MolecularWeight: 430.474123

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)C4=CC(=CC=C4)F

Isomeric SMILES

CN(C)C(CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H23FN4O2/c1-29(2)22(17-9-8-10-18(26)15-17)16-27-24(31)23-20-13-6-7-14-21(20)25(32)30(28-23)19-11-4-3-5-12-19/h3-15,22H,16H2,1-2H3,(H,27,31)