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

Systemtic Name: cyanomethyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: cyanomethyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid cyanomethyl ester Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC#N

InChI

InChI=1S/C15H15N3O3/c1-2-3-9-18-14(19)12-7-5-4-6-11(12)13(17-18)15(20)21-10-8-16/h4-7H,2-3,9-10H2,1H3