N-[1-[(E)-3-(4-nitrophenyl)prop-2-enyl]-4-oxidanylidene-3H-phthalazin-6-yl]-2-propyl-pentanamide

Systemtic Name: N-[1-[(E)-3-(4-nitrophenyl)prop-2-enyl]-4-oxidanylidene-3H-phthalazin-6-yl]-2-propyl-pentanamide Openeye Name: N-[1-[(E)-3-(4-nitrophenyl)allyl]-4-oxo-3H-phthalazin-6-yl]-2-propyl-pentanamide CAS Name: N-[1-[(E)-3-(4-nitrophenyl)prop-2-enyl]-4-oxo-3H-phthalazin-6-yl]-2-propylpentanamide IUPAC Name: N-[1-[(E)-3-(4-nitrophenyl)prop-2-enyl]-4-oxo-3H-phthalazin-6-yl]-2-propylpentanamide Traditional Name: N-[4-keto-1-[(E)-3-(4-nitrophenyl)allyl]-3H-phthalazin-6-yl]-2-propyl-valeramide Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1=CC2=C(C=C1)C(=NNC2=O)CC=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(CCC)C(=O)NC1=CC2=C(C=C1)C(=NNC2=O)C/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O4/c1-3-6-18(7-4-2)24(30)26-19-12-15-21-22(16-19)25(31)28-27-23(21)9-5-8-17-10-13-20(14-11-17)29(32)33/h5,8,10-16,18H,3-4,6-7,9H2,1-2H3,(H,26,30)(H,28,31)/b8-5+