N-[(E)-octan-2-ylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-octan-2-ylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-methylheptylideneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-octan-2-ylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-octan-2-ylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(E)-1-methylheptylideneamino]-3-propyl-phthalazine-1-carboxamide Formula: C20H28N4O2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC/C(=N/NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CCC)/C

InChI

InChI=1S/C20H28N4O2/c1-4-6-7-8-11-15(3)21-22-19(25)18-16-12-9-10-13-17(16)20(26)24(23-18)14-5-2/h9-10,12-13H,4-8,11,14H2,1-3H3,(H,22,25)/b21-15+