diethyl 3-cyano-6-ethanoyl-7,8-dihydro-1H-pyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylate

Systemtic Name: diethyl 3-cyano-6-ethanoyl-7,8-dihydro-1H-pyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylate Openeye Name: diethyl 6-acetyl-3-cyano-7,8-dihydro-1H-pyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylate CAS Name: 6-acetyl-3-cyano-7,8-dihydro-1H-pyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-acetyl-3-cyano-7,8-dihydro-1H-pyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylate Traditional Name: 6-acetyl-3-cyano-7,8-dihydro-1H-pyrazolo[1,5-a][1,3]diazepine-7,8-dicarboxylic acid diethyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N2C(=NC=C1C(=O)C)C(=CN2)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1C(N2C(=NC=C1C(=O)C)C(=CN2)C#N)C(=O)OCC

InChI

InChI=1S/C16H18N4O5/c1-4-24-15(22)12-11(9(3)21)8-18-14-10(6-17)7-19-20(14)13(12)16(23)25-5-2/h7-8,12-13,19H,4-5H2,1-3H3