(3-cyanophenyl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (3-cyanophenyl)methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (3-cyanobenzyl) ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H17N3O3/c1-2-10-23-19(24)17-9-4-3-8-16(17)18(22-23)20(25)26-13-15-7-5-6-14(11-15)12-21/h3-9,11H,2,10,13H2,1H3