ethyl 1-(4,6-dimethylpyrimidin-2-yl)-5-(3-phenylpropanoylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4,6-dimethylpyrimidin-2-yl)-5-(3-phenylpropanoylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-(4,6-dimethylpyrimidin-2-yl)-5-(3-phenylpropanoylamino)pyrazole-4-carboxylate CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-5-[(1-oxo-3-phenylpropyl)amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4,6-dimethylpyrimidin-2-yl)-5-(3-phenylpropanoylamino)pyrazole-4-carboxylate Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(hydrocinnamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CC(=N2)C)C)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CC(=N2)C)C)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3/c1-4-29-20(28)17-13-22-26(21-23-14(2)12-15(3)24-21)19(17)25-18(27)11-10-16-8-6-5-7-9-16/h5-9,12-13H,4,10-11H2,1-3H3,(H,25,27)