N-[2-(azepan-1-yl)phenyl]-1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxamide Formula: C23H28N6O2 MolecularWeight: 420.50742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=CC=C3N4CCCCCC4)C

Isomeric SMILES

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=CC=C3N4CCCCCC4)C

InChI

InChI=1S/C23H28N6O2/c1-3-31-22-13-12-21(26-27-22)29-17(2)18(16-24-29)23(30)25-19-10-6-7-11-20(19)28-14-8-4-5-9-15-28/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,25,30)