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

Systemtic Name: cyanomethyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: cyanomethyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid cyanomethyl ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC#N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC#N

InChI

InChI=1S/C17H19N3O3/c1-2-3-4-7-11-20-16(21)14-9-6-5-8-13(14)15(19-20)17(22)23-12-10-18/h5-6,8-9H,2-4,7,11-12H2,1H3