N'-(4-cyanophenyl)carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-(4-cyanophenyl)carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-(4-cyanobenzoyl)-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[(4-cyanophenyl)-oxomethyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-(4-cyanobenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-N'-(4-cyanobenzoyl)-4-keto-phthalazine-1-carbohydrazide Formula: C22H21N5O3 MolecularWeight: 403.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O3/c1-2-3-6-13-27-22(30)18-8-5-4-7-17(18)19(26-27)21(29)25-24-20(28)16-11-9-15(14-23)10-12-16/h4-5,7-12H,2-3,6,13H2,1H3,(H,24,28)(H,25,29)