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

Systemtic Name: 3-butyl-N-(heptan-4-ylideneamino)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-(1-propylbutylideneamino)phthalazine-1-carboxamide CAS Name: 3-butyl-N-(heptan-4-ylideneamino)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(heptan-4-ylideneamino)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-(1-propylbutylideneamino)phthalazine-1-carboxamide Formula: C20H28N4O2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(CCC)CCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(CCC)CCC

InChI

InChI=1S/C20H28N4O2/c1-4-7-14-24-20(26)17-13-9-8-12-16(17)18(23-24)19(25)22-21-15(10-5-2)11-6-3/h8-9,12-13H,4-7,10-11,14H2,1-3H3,(H,22,25)