4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide CAS Name: 4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-N-(4-phenoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide Formula: C28H25N5O4 MolecularWeight: 495.5292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C28H25N5O4/c34-28(29-21-7-9-23(10-8-21)37-22-4-2-1-3-5-22)33-16-14-32(15-17-33)27-13-11-24(30-31-27)20-6-12-25-26(18-20)36-19-35-25/h1-13,18H,14-17,19H2,(H,29,34)