ethyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylcarbonylamino)-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxole-5-carbonylamino)-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxole-5-carbonylamino)-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-(piperonyloylamino)-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C23H18N4O5 MolecularWeight: 430.41282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H18N4O5/c1-2-30-23(29)16-12-24-27(20-10-8-14-5-3-4-6-17(14)25-20)21(16)26-22(28)15-7-9-18-19(11-15)32-13-31-18/h3-12H,2,13H2,1H3,(H,26,28)