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

Systemtic Name: ethyl 9-cyano-1,3-diethanoyl-7,8-dimethyl-4,5-dihydropyrrolo[1,2-a][1,3]diazepine-5-carboxylate Openeye Name: ethyl 1,3-diacetyl-9-cyano-7,8-dimethyl-4,5-dihydropyrrolo[1,2-a][1,3]diazepine-5-carboxylate CAS Name: 1,3-diacetyl-9-cyano-7,8-dimethyl-4,5-dihydropyrrolo[1,2-a][1,3]diazepine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,3-diacetyl-9-cyano-7,8-dimethyl-4,5-dihydropyrrolo[1,2-a][1,3]diazepine-5-carboxylate Traditional Name: 1,3-diacetyl-9-cyano-7,8-dimethyl-4,5-dihydropyrrolo[1,2-a][1,3]diazepine-5-carboxylic acid ethyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(=CN(C2=C(C(=C(N12)C)C)C#N)C(=O)C)C(=O)C

Isomeric SMILES

CCOC(=O)C1CC(=CN(C2=C(C(=C(N12)C)C)C#N)C(=O)C)C(=O)C

InChI

InChI=1S/C18H21N3O4/c1-6-25-18(24)16-7-14(12(4)22)9-20(13(5)23)17-15(8-19)10(2)11(3)21(16)17/h9,16H,6-7H2,1-5H3