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

Systemtic Name: cyanomethyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: cyanomethyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid cyanomethyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC#N

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC#N

InChI

InChI=1S/C16H17N3O3/c1-2-3-6-10-19-15(20)13-8-5-4-7-12(13)14(18-19)16(21)22-11-9-17/h4-5,7-8H,2-3,6,10-11H2,1H3