N-methylnitramide; 4-methyl-3-[4-(phenylmethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: N-methylnitramide; 4-methyl-3-[4-(phenylmethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-(4-benzylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one; N-methylnitramide CAS Name: N-methylnitramide; 4-methyl-3-[4-(phenylmethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-(4-benzylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one; N-methylnitramide Traditional Name: 3-(4-benzylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one; N-methylnitramide Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC=C(C=C2)CC3=CC=CC=C3.CN[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)CC3=CC=CC=C3.CN[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O.CH4N2O2/c1-13-11-17(21)19-20-18(13)16-9-7-15(8-10-16)12-14-5-3-2-4-6-14;1-2-3(4)5/h2-10,13H,11-12H2,1H3,(H,19,21);2H,1H3