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

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-chloro-4-nitro-benzamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-chloro-4-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=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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