N-methyl-N-[(2-nitrophenyl)methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-methyl-N-[(2-nitrophenyl)methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-methyl-N-[(2-nitrophenyl)methyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-methyl-N-[(2-nitrophenyl)methyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-methyl-N-[(2-nitrophenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-N-(2-nitrobenzyl)-3-propyl-phthalazine-1-carboxamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4/c1-3-12-23-19(25)16-10-6-5-9-15(16)18(21-23)20(26)22(2)13-14-8-4-7-11-17(14)24(27)28/h4-11H,3,12-13H2,1-2H3