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

Systemtic Name: ethyl 3-cyano-6-ethanoyl-7-[[methyl(phenyl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Openeye Name: ethyl 6-acetyl-3-cyano-7-[(N-methylanilino)methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate CAS Name: 6-acetyl-3-cyano-7-[(N-methylanilino)methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-3-cyano-7-[(N-methylanilino)methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Traditional Name: 6-acetyl-3-cyano-7-[(N-methylanilino)methyl]-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-4-28-19(27)20(13-24(3)16-8-6-5-7-9-16)17(14(2)26)12-22-18-15(10-21)11-23-25(18)20/h5-9,11-12,23H,4,13H2,1-3H3