N-(1,3-benzodioxol-5-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohex-3-ene-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohex-3-ene-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide Traditional Name: N-piperonyl-6-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxamide Formula: C25H28N4O4 MolecularWeight: 448.51422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3CC=CCC3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3CC=CCC3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N4O4/c30-24(27-16-18-8-9-21-22(15-18)33-17-32-21)19-5-1-2-6-20(19)25(31)29-13-11-28(12-14-29)23-7-3-4-10-26-23/h1-4,7-10,15,19-20H,5-6,11-14,16-17H2,(H,27,30)