(3-cyanophenyl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (3-cyanophenyl)methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (3-cyanobenzyl) ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H21N3O3/c1-2-3-6-12-25-21(26)19-11-5-4-10-18(19)20(24-25)22(27)28-15-17-9-7-8-16(13-17)14-23/h4-5,7-11,13H,2-3,6,12,15H2,1H3