cyanomethyl 3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: cyanomethyl 3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: cyanomethyl 3-isopentyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(3-methylbutyl)-4-oxo-1-phthalazinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isoamyl-4-keto-phthalazine-1-carboxylic acid cyanomethyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC#N

InChI

InChI=1S/C16H17N3O3/c1-11(2)7-9-19-15(20)13-6-4-3-5-12(13)14(18-19)16(21)22-10-8-17/h3-6,11H,7,9-10H2,1-2H3