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

Systemtic Name: ethyl 5-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(E)-1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[[(E)-3-(4-propoxyphenyl)acryloyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C(=O)OCC

InChI

InChI=1S/C27H26N4O4/c1-3-17-35-21-13-9-19(10-14-21)11-16-25(32)30-26-22(27(33)34-4-2)18-28-31(26)24-15-12-20-7-5-6-8-23(20)29-24/h5-16,18H,3-4,17H2,1-2H3,(H,30,32)/b16-11+