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

Systemtic Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-phenyl-piperazine-1-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O3/c28-22(23-17-4-2-1-3-5-17)27-12-10-26(11-13-27)21-9-7-18(24-25-21)16-6-8-19-20(14-16)30-15-29-19/h1-9,14H,10-13,15H2,(H,23,28)