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

Systemtic Name: N-(heptan-4-ylideneamino)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-(1-propylbutylideneamino)phthalazine-1-carboxamide CAS Name: N-(heptan-4-ylideneamino)-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(heptan-4-ylideneamino)-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(1-propylbutylideneamino)phthalazine-1-carboxamide Formula: C17H22N4O2 MolecularWeight: 314.38218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2/c1-4-8-12(9-5-2)18-19-16(22)15-13-10-6-7-11-14(13)17(23)21(3)20-15/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,22)