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

Systemtic Name: diethyl 3-cyano-6-ethanoyl-8-ethoxy-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylate Openeye Name: diethyl 6-acetyl-3-cyano-8-ethoxy-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylate CAS Name: 6-acetyl-3-cyano-8-ethoxy-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-acetyl-3-cyano-8-ethoxy-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylate Traditional Name: 6-acetyl-3-cyano-8-ethoxy-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylic acid diethyl ester Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6/c1-5-26-16(24)14-13(11(4)23)10-20-15-12(8-19)9-21-22(15)18(14,28-7-3)17(25)27-6-2/h9-10,14,21H,5-7H2,1-4H3