N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-chloro-3-nitro-benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-chloro-3-nitro-benzamide Formula: C23H22ClN5O3 MolecularWeight: 451.90548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H22ClN5O3/c24-19-9-8-17(15-21(19)29(31)32)23(30)25-18-7-5-6-16(14-18)20-10-11-22(27-26-20)28-12-3-1-2-4-13-28/h5-11,14-15H,1-4,12-13H2,(H,25,30)