N-[4-[(E)-N-(1,3-benzodioxol-5-ylcarbonylamino)-C-methyl-carbonimidoyl]phenyl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-[(E)-N-(1,3-benzodioxol-5-ylcarbonylamino)-C-methyl-carbonimidoyl]phenyl]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[4-[(E)-N-(1,3-benzodioxole-5-carbonylamino)-C-methyl-carbonimidoyl]phenyl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[4-[(1E)-1-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]ethyl]phenyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[4-[(E)-N-(1,3-benzodioxole-5-carbonylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide Traditional Name: 2-methyl-N-[4-[(E)-C-methyl-N-(piperonyloylamino)carbonimidoyl]phenyl]pyrazole-3-carboxamide Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)NC(=O)C4=CC=NN4C

Isomeric SMILES

C/C(=N\NC(=O)C1=CC2=C(C=C1)OCO2)/C3=CC=C(C=C3)NC(=O)C4=CC=NN4C

InChI

InChI=1S/C21H19N5O4/c1-13(24-25-20(27)15-5-8-18-19(11-15)30-12-29-18)14-3-6-16(7-4-14)23-21(28)17-9-10-22-26(17)2/h3-11H,12H2,1-2H3,(H,23,28)(H,25,27)/b24-13+