2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]oxy-N-[(4-nitrophenyl)methylideneamino]ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]oxy-N-[(4-nitrophenyl)methylideneamino]ethanamide Openeye Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]oxy-N-[(4-nitrophenyl)methyleneamino]acetamide CAS Name: 2-[[2-(1-azepanyl)-6-methyl-4-pyrimidinyl]oxy]-N-[(4-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy-N-[(4-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]oxy-N-[(4-nitrobenzylidene)amino]acetamide Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCCCCC2)OCC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCCCCC2)OCC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O4/c1-15-12-19(23-20(22-15)25-10-4-2-3-5-11-25)30-14-18(27)24-21-13-16-6-8-17(9-7-16)26(28)29/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,24,27)