N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-methyl-pyrazine-2-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-methyl-pyrazine-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-methyl-pyrazine-2-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-5-methyl-2-pyrazinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-methylpyrazine-2-carboxamide Traditional Name: 5-methyl-N-[2-(piperonylcarbamoyl)phenyl]pyrazinamide Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N4O4/c1-13-9-23-17(11-22-13)21(27)25-16-5-3-2-4-15(16)20(26)24-10-14-6-7-18-19(8-14)29-12-28-18/h2-9,11H,10,12H2,1H3,(H,24,26)(H,25,27)