ethyl 5-[(4-butoxy-3-ethoxy-phenyl)carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-butoxy-3-ethoxy-phenyl)carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-butoxy-3-ethoxy-benzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(4-butoxy-3-ethoxyphenyl)-oxomethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-butoxy-3-ethoxybenzoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[(4-butoxy-3-ethoxy-benzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C28H30N4O5 MolecularWeight: 502.5616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C(=O)OCC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C(=O)OCC)OCC

InChI

InChI=1S/C28H30N4O5/c1-4-7-16-37-23-14-12-20(17-24(23)35-5-2)27(33)31-26-21(28(34)36-6-3)18-29-32(26)25-15-13-19-10-8-9-11-22(19)30-25/h8-15,17-18H,4-7,16H2,1-3H3,(H,31,33)