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

Systemtic Name: 3-cyanopropyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: 3-cyanopropyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid 3-cyanopropyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-2-3-7-12-21-17(22)15-10-5-4-9-14(15)16(20-21)18(23)24-13-8-6-11-19/h4-5,9-10H,2-3,6-8,12-13H2,1H3