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

Systemtic Name: 3-cyanopropyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: 3-cyanopropyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid 3-cyanopropyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCC#N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCC#N

InChI

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