N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H27N5O5/c1-34-22-15-19(21(30(32)33)16-23(22)35-2)25(31)26-18-9-7-8-17(14-18)20-10-11-24(28-27-20)29-12-5-3-4-6-13-29/h7-11,14-16H,3-6,12-13H2,1-2H3,(H,26,31)