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

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-N-pentyl-pyrazine-2-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]-N-pentyl-pyrazine-2-carboxamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-pentyl-2-pyrazinecarboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide Traditional Name: N-amyl-N-[3-keto-3-(piperonylamino)propyl]pyrazinamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-2-3-4-10-25(21(27)17-14-22-8-9-23-17)11-7-20(26)24-13-16-5-6-18-19(12-16)29-15-28-18/h5-6,8-9,12,14H,2-4,7,10-11,13,15H2,1H3,(H,24,26)