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

Systemtic Name: ethyl 5-[[(Z)-2-cyano-3-phenyl-prop-2-enoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(Z)-2-cyano-3-phenyl-prop-2-enoyl]amino]-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(Z)-2-cyano-1-oxo-3-phenylprop-2-enyl]amino]-1-(4-methyl-2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[[(Z)-2-cyano-3-phenyl-acryloyl]amino]-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C26H21N5O3 MolecularWeight: 451.47664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N5O3/c1-3-34-26(33)21-16-28-31(23-13-17(2)20-11-7-8-12-22(20)29-23)24(21)30-25(32)19(15-27)14-18-9-5-4-6-10-18/h4-14,16H,3H2,1-2H3,(H,30,32)/b19-14-