ethyl 1-quinolin-2-yl-5-[(3,4,5-triethoxyphenyl)carbonylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-quinolin-2-yl-5-[(3,4,5-triethoxyphenyl)carbonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-quinolyl)-5-[(3,4,5-triethoxybenzoyl)amino]pyrazole-4-carboxylate CAS Name: 5-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-quinolin-2-yl-5-[(3,4,5-triethoxybenzoyl)amino]pyrazole-4-carboxylate Traditional Name: 1-(2-quinolyl)-5-[(3,4,5-triethoxybenzoyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C28H30N4O6 MolecularWeight: 518.561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C(=O)OCC

InChI

InChI=1S/C28H30N4O6/c1-5-35-22-15-19(16-23(36-6-2)25(22)37-7-3)27(33)31-26-20(28(34)38-8-4)17-29-32(26)24-14-13-18-11-9-10-12-21(18)30-24/h9-17H,5-8H2,1-4H3,(H,31,33)