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

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-N-cyclopropyl-5-methyl-pyrazine-2-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]-N-cyclopropyl-5-methyl-pyrazine-2-carboxamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-5-methyl-2-pyrazinecarboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide Traditional Name: N-cyclopropyl-N-[3-keto-3-(piperonylamino)propyl]-5-methyl-pyrazinamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N(CCC(=O)NCC2=CC3=C(C=C2)OCO3)C4CC4

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N(CCC(=O)NCC2=CC3=C(C=C2)OCO3)C4CC4

InChI

InChI=1S/C20H22N4O4/c1-13-9-22-16(11-21-13)20(26)24(15-3-4-15)7-6-19(25)23-10-14-2-5-17-18(8-14)28-12-27-17/h2,5,8-9,11,15H,3-4,6-7,10,12H2,1H3,(H,23,25)