N-[(E)-1-(4-fluorophenyl)propylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(4-fluorophenyl)propylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-(4-fluorophenyl)propylideneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(4-fluorophenyl)propylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-1-(4-fluorophenyl)propylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(E)-1-(4-fluorophenyl)propylideneamino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H21FN4O2 MolecularWeight: 380.415443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(\CC)/C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN4O2/c1-3-13-26-21(28)17-8-6-5-7-16(17)19(25-26)20(27)24-23-18(4-2)14-9-11-15(22)12-10-14/h5-12H,3-4,13H2,1-2H3,(H,24,27)/b23-18+