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

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

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-14(2)12-25(21(27)17-11-22-15(3)9-23-17)7-6-20(26)24-10-16-4-5-18-19(8-16)29-13-28-18/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3,(H,24,26)