diethyl 3-cyano-6-ethanoyl-8-phenylazanyl-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylate

Systemtic Name: diethyl 3-cyano-6-ethanoyl-8-phenylazanyl-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylate Openeye Name: diethyl 6-acetyl-8-anilino-3-cyano-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylate CAS Name: 6-acetyl-8-anilino-3-cyano-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-acetyl-8-anilino-3-cyano-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylate Traditional Name: 6-acetyl-8-anilino-3-cyano-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylic acid diethyl ester Formula: C22H23N5O5 MolecularWeight: 437.44852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=CN=C2C(=CNN2C1(C(=O)OCC)NC3=CC=CC=C3)C#N)C(=O)C

Isomeric SMILES

CCOC(=O)C1C(=CN=C2C(=CNN2C1(C(=O)OCC)NC3=CC=CC=C3)C#N)C(=O)C

InChI

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