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

Systemtic Name: phenyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: phenyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid phenyl ester IUPAC Name: phenyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid phenyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-2-3-4-10-15-23-20(24)18-14-9-8-13-17(18)19(22-23)21(25)26-16-11-6-5-7-12-16/h5-9,11-14H,2-4,10,15H2,1H3