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

Systemtic Name: ethyl 3-cyano-6-ethanoyl-7-[ethoxy(phenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Openeye Name: ethyl 6-acetyl-3-cyano-7-[ethoxy(phenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate CAS Name: 6-acetyl-3-cyano-7-[ethoxy(phenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-3-cyano-7-[ethoxy(phenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Traditional Name: 6-acetyl-3-cyano-7-[ethoxy(phenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)C2(C(=CN=C3N2NC=C3C#N)C(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(C1=CC=CC=C1)C2(C(=CN=C3N2NC=C3C#N)C(=O)C)C(=O)OCC

InChI

InChI=1S/C21H22N4O4/c1-4-28-18(15-9-7-6-8-10-15)21(20(27)29-5-2)17(14(3)26)13-23-19-16(11-22)12-24-25(19)21/h6-10,12-13,18,24H,4-5H2,1-3H3