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

Systemtic Name: (4-cyanophenyl)methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-cyanophenyl)methyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (4-cyanobenzyl) ester Formula: C21H19N3O3 MolecularWeight: 361.39386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O3/c1-2-3-12-24-20(25)18-7-5-4-6-17(18)19(23-24)21(26)27-14-16-10-8-15(13-22)9-11-16/h4-11H,2-3,12,14H2,1H3