2-(4-fluoranylphenoxy)ethyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: 2-(4-fluoranylphenoxy)ethyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: 2-(4-fluorophenoxy)ethyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid 2-(4-fluorophenoxy)ethyl ester IUPAC Name: 2-(4-fluorophenoxy)ethyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid 2-(4-fluorophenoxy)ethyl ester Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O4/c1-2-3-6-13-25-21(26)19-8-5-4-7-18(19)20(24-25)22(27)29-15-14-28-17-11-9-16(23)10-12-17/h4-5,7-12H,2-3,6,13-15H2,1H3