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

Systemtic Name: ethyl 3-cyano-6-ethanoyl-7-(phenylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Openeye Name: ethyl 6-acetyl-7-benzyl-3-cyano-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate CAS Name: 6-acetyl-3-cyano-7-(phenylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-7-benzyl-3-cyano-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Traditional Name: 6-acetyl-7-benzyl-3-cyano-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=CN=C2N1NC=C2C#N)C(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(C(=CN=C2N1NC=C2C#N)C(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O3/c1-3-26-18(25)19(9-14-7-5-4-6-8-14)16(13(2)24)12-21-17-15(10-20)11-22-23(17)19/h4-8,11-12,22H,3,9H2,1-2H3