ethyl 9-cyano-3-ethanoyl-5-ethoxy-7,8-dimethyl-1,4-dihydropyrrolo[1,2-a][1,3]diazepine-5-carboxylate

Systemtic Name: ethyl 9-cyano-3-ethanoyl-5-ethoxy-7,8-dimethyl-1,4-dihydropyrrolo[1,2-a][1,3]diazepine-5-carboxylate Openeye Name: ethyl 3-acetyl-9-cyano-5-ethoxy-7,8-dimethyl-1,4-dihydropyrrolo[1,2-a][1,3]diazepine-5-carboxylate CAS Name: 3-acetyl-9-cyano-5-ethoxy-7,8-dimethyl-1,4-dihydropyrrolo[1,2-a][1,3]diazepine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-9-cyano-5-ethoxy-7,8-dimethyl-1,4-dihydropyrrolo[1,2-a][1,3]diazepine-5-carboxylate Traditional Name: 3-acetyl-9-cyano-5-ethoxy-7,8-dimethyl-1,4-dihydropyrrolo[1,2-a][1,3]diazepine-5-carboxylic acid ethyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(=CNC2=C(C(=C(N21)C)C)C#N)C(=O)C)OCC

Isomeric SMILES

CCOC(=O)C1(CC(=CNC2=C(C(=C(N21)C)C)C#N)C(=O)C)OCC

InChI

InChI=1S/C18H23N3O4/c1-6-24-17(23)18(25-7-2)8-14(13(5)22)10-20-16-15(9-19)11(3)12(4)21(16)18/h10,20H,6-8H2,1-5H3