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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[6-(4-fluorophenyl)-3-pyridazinyl]-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazine-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazine-1-carboxamide Formula: C22H20FN5O3 MolecularWeight: 421.424303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC=C(C=C3)F)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC=C(C=C3)F)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20FN5O3/c23-16-3-1-15(2-4-16)18-6-8-21(26-25-18)27-9-11-28(12-10-27)22(29)24-17-5-7-19-20(13-17)31-14-30-19/h1-8,13H,9-12,14H2,(H,24,29)