N-[[4-[(phenethylcarbamoylamino)methyl]cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-[(phenethylcarbamoylamino)methyl]cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-[(phenethylcarbamoylamino)methyl]cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[[[oxo-(phenethylamino)methyl]amino]methyl]cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-[(phenethylcarbamoylamino)methyl]cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-[(phenethylcarbamoylamino)methyl]cyclohexyl]methyl]-piperonylamide Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C2=CC3=C(C=C2)OCO3)CNC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1CNC(=O)C2=CC3=C(C=C2)OCO3)CNC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O4/c29-24(21-10-11-22-23(14-21)32-17-31-22)27-15-19-6-8-20(9-7-19)16-28-25(30)26-13-12-18-4-2-1-3-5-18/h1-5,10-11,14,19-20H,6-9,12-13,15-17H2,(H,27,29)(H2,26,28,30)