N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]phthalazine-1-carboxamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(/C)\C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-3-4-7-13-26-22(29)19-12-6-5-11-18(19)20(25-26)21(28)24-23-15(2)16-9-8-10-17(14-16)27(30)31/h5-6,8-12,14H,3-4,7,13H2,1-2H3,(H,24,28)/b23-15-