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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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