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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4-dimethoxy-benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4-dimethoxy-benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2,4-dimethoxybenzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4-dimethoxybenzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4-dimethoxy-benzamide Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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