N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-N-hexyl-pyrazine-2-carboxamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-N-hexyl-pyrazine-2-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]-N-hexyl-pyrazine-2-carboxamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-hexyl-2-pyrazinecarboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-hexylpyrazine-2-carboxamide Traditional Name: N-hexyl-N-[3-keto-3-(piperonylamino)propyl]pyrazinamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCC(=O)NCC1=CC2=C(C=C1)OCO2)C(=O)C3=NC=CN=C3

Isomeric SMILES

CCCCCCN(CCC(=O)NCC1=CC2=C(C=C1)OCO2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C22H28N4O4/c1-2-3-4-5-11-26(22(28)18-15-23-9-10-24-18)12-8-21(27)25-14-17-6-7-19-20(13-17)30-16-29-19/h6-7,9-10,13,15H,2-5,8,11-12,14,16H2,1H3,(H,25,27)