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

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

Isomeric SMILES

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

InChI

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