N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,5-dimethoxy-benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,5-dimethoxy-benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3,5-dimethoxybenzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,5-dimethoxybenzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,5-dimethoxy-benzamide Formula: C25H28N4O3 MolecularWeight: 432.51482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)OC

InChI

InChI=1S/C25H28N4O3/c1-31-21-15-19(16-22(17-21)32-2)25(30)26-20-9-7-8-18(14-20)23-10-11-24(28-27-23)29-12-5-3-4-6-13-29/h7-11,14-17H,3-6,12-13H2,1-2H3,(H,26,30)