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

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-N-ethyl-pyrazine-2-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]-N-ethyl-pyrazine-2-carboxamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-ethyl-2-pyrazinecarboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-ethylpyrazine-2-carboxamide Traditional Name: N-ethyl-N-[3-keto-3-(piperonylamino)propyl]pyrazinamide Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4/c1-2-22(18(24)14-11-19-6-7-20-14)8-5-17(23)21-10-13-3-4-15-16(9-13)26-12-25-15/h3-4,6-7,9,11H,2,5,8,10,12H2,1H3,(H,21,23)