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

Systemtic Name: ethyl 5-[[(Z)-2-cyano-3-phenyl-prop-2-enoyl]amino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(Z)-2-cyano-3-phenyl-prop-2-enoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(Z)-2-cyano-1-oxo-3-phenylprop-2-enyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[[(Z)-2-cyano-3-phenyl-acryloyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C25H19N5O3 MolecularWeight: 437.45006

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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=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H19N5O3/c1-2-33-25(32)20-16-27-30(22-13-12-18-10-6-7-11-21(18)28-22)23(20)29-24(31)19(15-26)14-17-8-4-3-5-9-17/h3-14,16H,2H2,1H3,(H,29,31)/b19-14-