ethyl 5-[[(Z)-2-cyano-3-phenyl-prop-2-enoyl]amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[(Z)-2-cyano-3-phenyl-prop-2-enoyl]amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(Z)-2-cyano-3-phenyl-prop-2-enoyl]amino]-1-(4,6,8-trimethyl-2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(Z)-2-cyano-1-oxo-3-phenylprop-2-enyl]amino]-1-(4,6,8-trimethyl-2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[[(Z)-2-cyano-3-phenyl-acryloyl]amino]-1-(4,6,8-trimethyl-2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C28H25N5O3 MolecularWeight: 479.5298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=C(C=C(C=C3C(=C2)C)C)C)NC(=O)C(=CC4=CC=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H25N5O3/c1-5-36-28(35)23-16-30-33(24-13-18(3)22-12-17(2)11-19(4)25(22)31-24)26(23)32-27(34)21(15-29)14-20-9-7-6-8-10-20/h6-14,16H,5H2,1-4H3,(H,32,34)/b21-14-