N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[6-(1-pyrrolidinyl)-3-pyridazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(6-pyrrolidinopyridazin-3-yl)phenyl]-piperonylamide Formula: C22H20N4O3 MolecularWeight: 388.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N4O3/c27-22(16-6-8-19-20(13-16)29-14-28-19)23-17-5-3-4-15(12-17)18-7-9-21(25-24-18)26-10-1-2-11-26/h3-9,12-13H,1-2,10-11,14H2,(H,23,27)