2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(3-nitrophenyl)pyridazin-3-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(3-nitrophenyl)pyridazin-3-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]-6-(3-nitrophenyl)pyridazin-3-one CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]-6-(3-nitrophenyl)-3-pyridazinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]-6-(3-nitrophenyl)pyridazin-3-one Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]-6-(3-nitrophenyl)pyridazin-3-one Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C=CC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C=CC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4/c23-17-9-8-16(14-6-5-7-15(12-14)22(25)26)19-21(17)13-18(24)20-10-3-1-2-4-11-20/h5-9,12H,1-4,10-11,13H2