N-(heptan-4-ylideneamino)-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-(heptan-4-ylideneamino)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-(1-propylbutylideneamino)-3H-phthalazine-1-carboxamide CAS Name: N-(heptan-4-ylideneamino)-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(heptan-4-ylideneamino)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-(1-propylbutylideneamino)-3H-phthalazine-1-carboxamide Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=O)C1=NNC(=O)C2=CC=CC=C21)CCC

Isomeric SMILES

CCCC(=NNC(=O)C1=NNC(=O)C2=CC=CC=C21)CCC

InChI

InChI=1S/C16H20N4O2/c1-3-7-11(8-4-2)17-20-16(22)14-12-9-5-6-10-13(12)15(21)19-18-14/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,21)(H,20,22)