N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-ethanoylphenoxy)ethanamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-ethanoylphenoxy)ethanamide Openeye Name: 2-(4-acetylphenoxy)-N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]acetamide CAS Name: 2-(4-acetylphenoxy)-N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]acetamide IUPAC Name: 2-(4-acetylphenoxy)-N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]acetamide Traditional Name: 2-(4-acetylphenoxy)-N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]acetamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C26H28N4O3/c1-19(31)20-9-11-23(12-10-20)33-18-26(32)27-22-8-6-7-21(17-22)24-13-14-25(29-28-24)30-15-4-2-3-5-16-30/h6-14,17H,2-5,15-16,18H2,1H3,(H,27,32)