N-(4-cyanophenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(4-cyanophenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(4-cyanophenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(4-cyanophenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(4-cyanophenyl)-4-keto-phthalazine-1-carboxamide Formula: C21H20N4O2 MolecularWeight: 360.4091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20N4O2/c1-2-3-6-13-25-21(27)18-8-5-4-7-17(18)19(24-25)20(26)23-16-11-9-15(14-22)10-12-16/h4-5,7-12H,2-3,6,13H2,1H3,(H,23,26)