N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-N-[1-(3-nitrophenyl)ethyl]-3-propyl-phthalazine-1-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)C(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)C(C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-4-12-24-20(26)18-11-6-5-10-17(18)19(22-24)21(27)23(3)14(2)15-8-7-9-16(13-15)25(28)29/h5-11,13-14H,4,12H2,1-3H3