5-(1,3-benzodioxol-5-yloxy)-2-phenyl-4-[(3-pyrrolidin-1-ylcarbonylphenyl)amino]pyridazin-3-one

Systemtic Name: 5-(1,3-benzodioxol-5-yloxy)-2-phenyl-4-[(3-pyrrolidin-1-ylcarbonylphenyl)amino]pyridazin-3-one Openeye Name: 5-(1,3-benzodioxol-5-yloxy)-2-phenyl-4-[3-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one CAS Name: 5-(1,3-benzodioxol-5-yloxy)-4-[3-[oxo(1-pyrrolidinyl)methyl]anilino]-2-phenyl-3-pyridazinone IUPAC Name: 5-(1,3-benzodioxol-5-yloxy)-2-phenyl-4-[3-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one Traditional Name: 5-(1,3-benzodioxol-5-yloxy)-2-phenyl-4-[3-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one Formula: C28H24N4O5 MolecularWeight: 496.51396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC=C2)NC3=C(C=NN(C3=O)C4=CC=CC=C4)OC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)NC3=C(C=NN(C3=O)C4=CC=CC=C4)OC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H24N4O5/c33-27(31-13-4-5-14-31)19-7-6-8-20(15-19)30-26-25(37-22-11-12-23-24(16-22)36-18-35-23)17-29-32(28(26)34)21-9-2-1-3-10-21/h1-3,6-12,15-17,30H,4-5,13-14,18H2