ethyl 8-chloranyl-3-cyano-6-ethanoyl-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-8-carboxylate

Systemtic Name: ethyl 8-chloranyl-3-cyano-6-ethanoyl-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-8-carboxylate Openeye Name: ethyl 6-acetyl-8-chloro-3-cyano-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-8-carboxylate CAS Name: 6-acetyl-8-chloro-3-cyano-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-8-chloro-3-cyano-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-8-carboxylate Traditional Name: 6-acetyl-8-chloro-3-cyano-1,7-dihydropyrazolo[1,5-a][1,3]diazepine-8-carboxylic acid ethyl ester Formula: C13H13ClN4O3 MolecularWeight: 308.72032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(=CN=C2N1NC=C2C#N)C(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1(CC(=CN=C2N1NC=C2C#N)C(=O)C)Cl

InChI

InChI=1S/C13H13ClN4O3/c1-3-21-12(20)13(14)4-9(8(2)19)6-16-11-10(5-15)7-17-18(11)13/h6-7,17H,3-4H2,1-2H3