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

Systemtic Name: ethyl 5-[[(Z)-2-cyano-3-phenyl-prop-2-enoyl]amino]-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(Z)-2-cyano-3-phenyl-prop-2-enoyl]amino]-1-(4,8-dimethyl-2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(Z)-2-cyano-1-oxo-3-phenylprop-2-enyl]amino]-1-(4,8-dimethyl-2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[[(Z)-2-cyano-3-phenyl-acryloyl]amino]-1-(4,8-dimethyl-2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C27H23N5O3 MolecularWeight: 465.50322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N5O3/c1-4-35-27(34)22-16-29-32(23-13-18(3)21-12-8-9-17(2)24(21)30-23)25(22)31-26(33)20(15-28)14-19-10-6-5-7-11-19/h5-14,16H,4H2,1-3H3,(H,31,33)/b20-14-