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

Systemtic Name: ethyl 5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[[(E)-3-p-cumenylacryloyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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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)C=CC4=CC=C(C=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O3/c1-4-34-27(33)22-17-28-31(24-15-14-21-7-5-6-8-23(21)29-24)26(22)30-25(32)16-11-19-9-12-20(13-10-19)18(2)3/h5-18H,4H2,1-3H3,(H,30,32)/b16-11+