ethyl 3-cyano-6-ethanoyl-7-(2-ethoxy-2-oxidanylidene-1-phenylazanyl-ethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate

Systemtic Name: ethyl 3-cyano-6-ethanoyl-7-(2-ethoxy-2-oxidanylidene-1-phenylazanyl-ethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Openeye Name: ethyl 6-acetyl-7-(1-anilino-2-ethoxy-2-oxo-ethyl)-3-cyano-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate CAS Name: 6-acetyl-7-(1-anilino-2-ethoxy-2-oxoethyl)-3-cyano-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-7-(1-anilino-2-ethoxy-2-oxoethyl)-3-cyano-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylate Traditional Name: 6-acetyl-7-(1-anilino-2-ethoxy-2-keto-ethyl)-3-cyano-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid ethyl ester Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1(C(=CN=C2N1NC=C2C#N)C(=O)C)C(=O)OCC)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C1(C(=CN=C2N1NC=C2C#N)C(=O)C)C(=O)OCC)NC3=CC=CC=C3

InChI

InChI=1S/C22H23N5O5/c1-4-31-20(29)18(26-16-9-7-6-8-10-16)22(21(30)32-5-2)17(14(3)28)13-24-19-15(11-23)12-25-27(19)22/h6-10,12-13,18,25-26H,4-5H2,1-3H3