(3-fluorophenyl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (3-fluorophenyl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (3-fluorophenyl)methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (3-fluorobenzyl) ester Formula: C21H21FN2O3 MolecularWeight: 368.401443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=CC=C3)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C21H21FN2O3/c1-2-3-6-12-24-20(25)18-11-5-4-10-17(18)19(23-24)21(26)27-14-15-8-7-9-16(22)13-15/h4-5,7-11,13H,2-3,6,12,14H2,1H3