phenyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: phenyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: phenyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid phenyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3/c1-2-3-9-14-22-19(23)17-13-8-7-12-16(17)18(21-22)20(24)25-15-10-5-4-6-11-15/h4-8,10-13H,2-3,9,14H2,1H3