3-(azepan-1-ylcarbonyl)-6-methyl-1-(2-nitrophenyl)pyridazin-4-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-6-methyl-1-(2-nitrophenyl)pyridazin-4-one Openeye Name: 3-(azepane-1-carbonyl)-6-methyl-1-(2-nitrophenyl)pyridazin-4-one CAS Name: 3-[1-azepanyl(oxo)methyl]-6-methyl-1-(2-nitrophenyl)-4-pyridazinone IUPAC Name: 3-(azepane-1-carbonyl)-6-methyl-1-(2-nitrophenyl)pyridazin-4-one Traditional Name: 3-(azepane-1-carbonyl)-6-methyl-1-(2-nitrophenyl)pyridazin-4-one Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCCCCC3

InChI

InChI=1S/C18H20N4O4/c1-13-12-16(23)17(18(24)20-10-6-2-3-7-11-20)19-21(13)14-8-4-5-9-15(14)22(25)26/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3