N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(6-oxidanylidenepyridazin-1-yl)ethanamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(6-oxidanylidenepyridazin-1-yl)ethanamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(6-oxopyridazin-1-yl)acetamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-(6-oxo-1-pyridazinyl)acetamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(6-oxopyridazin-1-yl)acetamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(6-ketopyridazin-1-yl)acetamide Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CN4C(=O)C=CC=N4

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)CN4C(=O)C=CC=N4

InChI

InChI=1S/C22H24N6O2/c29-21(16-28-22(30)9-6-12-23-28)24-18-8-5-7-17(15-18)19-10-11-20(26-25-19)27-13-3-1-2-4-14-27/h5-12,15H,1-4,13-14,16H2,(H,24,29)