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

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,4-dimethoxyphenyl)ethanamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,4-dimethoxyphenyl)acetamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-(3,4-dimethoxyphenyl)acetamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,4-dimethoxyphenyl)acetamide Traditional Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,4-dimethoxyphenyl)acetamide Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3/c1-32-23-13-7-19(17-24(23)33-2)18-26(31)27-21-10-8-20(9-11-21)22-12-14-25(29-28-22)30-15-5-3-4-6-16-30/h7-14,17H,3-6,15-16,18H2,1-2H3,(H,27,31)