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

Systemtic Name: ethyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-(3-phenylpropanoylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-(3-phenylpropanoylamino)pyrazole-4-carboxylate CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-3-methyl-5-[(1-oxo-3-phenylpropyl)amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-(3-phenylpropanoylamino)pyrazole-4-carboxylate Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(hydrocinnamoylamino)-3-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=NC(=CC(=N2)C)C)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=NC(=CC(=N2)C)C)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O3/c1-5-30-21(29)19-16(4)26-27(22-23-14(2)13-15(3)24-22)20(19)25-18(28)12-11-17-9-7-6-8-10-17/h6-10,13H,5,11-12H2,1-4H3,(H,25,28)