ethyl 5-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[[(E)-3-p-phenetylacryloyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C(=O)OCC

InChI

InChI=1S/C26H24N4O4/c1-3-33-20-13-9-18(10-14-20)11-16-24(31)29-25-21(26(32)34-4-2)17-27-30(25)23-15-12-19-7-5-6-8-22(19)28-23/h5-17H,3-4H2,1-2H3,(H,29,31)/b16-11+