ethyl 9-cyano-3-ethanoyl-7,8-dimethyl-4,5-dihydro-1H-pyrrolo[1,2-a][1,3]diazepine-5-carboxylate

Systemtic Name: ethyl 9-cyano-3-ethanoyl-7,8-dimethyl-4,5-dihydro-1H-pyrrolo[1,2-a][1,3]diazepine-5-carboxylate Openeye Name: ethyl 3-acetyl-9-cyano-7,8-dimethyl-4,5-dihydro-1H-pyrrolo[1,2-a][1,3]diazepine-5-carboxylate CAS Name: 3-acetyl-9-cyano-7,8-dimethyl-4,5-dihydro-1H-pyrrolo[1,2-a][1,3]diazepine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-9-cyano-7,8-dimethyl-4,5-dihydro-1H-pyrrolo[1,2-a][1,3]diazepine-5-carboxylate Traditional Name: 3-acetyl-9-cyano-7,8-dimethyl-4,5-dihydro-1H-pyrrolo[1,2-a][1,3]diazepine-5-carboxylic acid ethyl ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(=CNC2=C(C(=C(N12)C)C)C#N)C(=O)C

Isomeric SMILES

CCOC(=O)C1CC(=CNC2=C(C(=C(N12)C)C)C#N)C(=O)C

InChI

InChI=1S/C16H19N3O3/c1-5-22-16(21)14-6-12(11(4)20)8-18-15-13(7-17)9(2)10(3)19(14)15/h8,14,18H,5-6H2,1-4H3