ethyl 7-(bromomethyl)-3-cyano-6-ethanoyl-4-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

Systemtic Name: ethyl 7-(bromomethyl)-3-cyano-6-ethanoyl-4-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate Openeye Name: ethyl 6-acetyl-4-benzyl-7-(bromomethyl)-3-cyano-pyrazolo[1,5-a]pyrimidine-7-carboxylate CAS Name: 6-acetyl-7-(bromomethyl)-3-cyano-4-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-4-benzyl-7-(bromomethyl)-3-cyanopyrazolo[1,5-a]pyrimidine-7-carboxylate Traditional Name: 6-acetyl-4-benzyl-7-(bromomethyl)-3-cyano-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester Formula: C20H19BrN4O3 MolecularWeight: 443.29386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=CN(C2=C(C=NN21)C#N)CC3=CC=CC=C3)C(=O)C)CBr

Isomeric SMILES

CCOC(=O)C1(C(=CN(C2=C(C=NN21)C#N)CC3=CC=CC=C3)C(=O)C)CBr

InChI

InChI=1S/C20H19BrN4O3/c1-3-28-19(27)20(13-21)17(14(2)26)12-24(11-15-7-5-4-6-8-15)18-16(9-22)10-23-25(18)20/h4-8,10,12H,3,11,13H2,1-2H3