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

Systemtic Name: ethyl 5-[(3-phenoxyphenyl)carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(3-phenoxybenzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[oxo-(3-phenoxyphenyl)methyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-phenoxybenzoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[(3-phenoxybenzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C28H22N4O4 MolecularWeight: 478.49868

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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=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H22N4O4/c1-2-35-28(34)23-18-29-32(25-16-15-19-9-6-7-14-24(19)30-25)26(23)31-27(33)20-10-8-13-22(17-20)36-21-11-4-3-5-12-21/h3-18H,2H2,1H3,(H,31,33)