N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[3-[6-(1-pyrrolidinyl)-3-pyridazinyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[3-(6-pyrrolidinopyridazin-3-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C23H22N4O3 MolecularWeight: 402.44578

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)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(C1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C23H22N4O3/c28-23(21-15-29-19-8-1-2-9-20(19)30-21)24-17-7-5-6-16(14-17)18-10-11-22(26-25-18)27-12-3-4-13-27/h1-2,5-11,14,21H,3-4,12-13,15H2,(H,24,28)