pyridin-2-ylmethyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: pyridin-2-ylmethyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 2-pyridylmethyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid 2-pyridylmethyl ester Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C19H19N3O3/c1-2-3-12-22-18(23)16-10-5-4-9-15(16)17(21-22)19(24)25-13-14-8-6-7-11-20-14/h4-11H,2-3,12-13H2,1H3