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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3/c1-2-3-11-20-16(21)14-9-5-4-8-13(14)15(19-20)17(22)23-12-7-6-10-18/h4-5,8-9H,2-3,6-7,11-12H2,1H3