N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(2,5-dimethyl-3-furyl)ethylideneamino]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(2,5-dimethyl-3-furanyl)ethylideneamino]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[(Z)-1-(2,5-dimethyl-3-furyl)ethylideneamino]-4-keto-phthalazine-1-carboxamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=C(OC(=C3)C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(/C)\C3=C(OC(=C3)C)C

InChI

InChI=1S/C22H26N4O3/c1-5-6-9-12-26-22(28)18-11-8-7-10-17(18)20(25-26)21(27)24-23-15(3)19-13-14(2)29-16(19)4/h7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,24,27)/b23-15-