ethyl 8-acetyloxy-3-cyano-4,6-diethanoyl-7H-pyrazolo[1,5-a][1,3]diazepine-8-carboxylate

Systemtic Name: ethyl 8-acetyloxy-3-cyano-4,6-diethanoyl-7H-pyrazolo[1,5-a][1,3]diazepine-8-carboxylate Openeye Name: ethyl 8-acetoxy-4,6-diacetyl-3-cyano-7H-pyrazolo[1,5-a][1,3]diazepine-8-carboxylate CAS Name: 4,6-diacetyl-8-acetyloxy-3-cyano-7H-pyrazolo[1,5-a][1,3]diazepine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 4,6-diacetyl-8-acetyloxy-3-cyano-7H-pyrazolo[1,5-a][1,3]diazepine-8-carboxylate Traditional Name: 8-acetoxy-4,6-diacetyl-3-cyano-7H-pyrazolo[1,5-a][1,3]diazepine-8-carboxylic acid ethyl ester Formula: C17H18N4O6 MolecularWeight: 374.34802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(=CN(C2=C(C=NN21)C#N)C(=O)C)C(=O)C)OC(=O)C

Isomeric SMILES

CCOC(=O)C1(CC(=CN(C2=C(C=NN21)C#N)C(=O)C)C(=O)C)OC(=O)C

InChI

InChI=1S/C17H18N4O6/c1-5-26-16(25)17(27-12(4)24)6-13(10(2)22)9-20(11(3)23)15-14(7-18)8-19-21(15)17/h8-9H,5-6H2,1-4H3