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

Systemtic Name: N-methyl-N-[(3-nitrophenyl)methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-methyl-N-[(3-nitrophenyl)methyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-methyl-N-[(3-nitrophenyl)methyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-methyl-N-[(3-nitrophenyl)methyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-methyl-N-(3-nitrobenzyl)phthalazine-1-carboxamide Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-3-4-7-13-25-21(27)19-12-6-5-11-18(19)20(23-25)22(28)24(2)15-16-9-8-10-17(14-16)26(29)30/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3