propan-2-yl 2-cyano-4,4-dimethyl-6-(oxan-4-ylcarbonyl)-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylate

Systemtic Name: propan-2-yl 2-cyano-4,4-dimethyl-6-(oxan-4-ylcarbonyl)-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylate Openeye Name: isopropyl 2-cyano-4,4-dimethyl-6-(tetrahydropyran-4-carbonyl)-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylate CAS Name: 2-cyano-4,4-dimethyl-6-[4-oxanyl(oxo)methyl]-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-cyano-4,4-dimethyl-6-(oxane-4-carbonyl)-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylate Traditional Name: 2-cyano-4,4-dimethyl-6-(tetrahydropyran-4-carbonyl)-1,5-dihydropyrrol[2,3-d]azepine-8-carboxylic acid isopropyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CN(CC(C2=C1NC(=C2)C#N)(C)C)C(=O)C3CCOCC3

Isomeric SMILES

CC(C)OC(=O)C1=CN(CC(C2=C1NC(=C2)C#N)(C)C)C(=O)C3CCOCC3

InChI

InChI=1S/C21H27N3O4/c1-13(2)28-20(26)16-11-24(19(25)14-5-7-27-8-6-14)12-21(3,4)17-9-15(10-22)23-18(16)17/h9,11,13-14,23H,5-8,12H2,1-4H3