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

Systemtic Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-cyclohexyl-piperazine-1-carboxamide Openeye Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-cyclohexyl-piperazine-1-carboxamide CAS Name: 4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-N-cyclohexyl-1-piperazinecarboxamide IUPAC Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-cyclohexylpiperazine-1-carboxamide Traditional Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-cyclohexyl-piperazine-1-carboxamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H27N5O3/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/h6-9,14,17H,1-5,10-13,15H2,(H,23,28)