propan-2-yl 2-cyano-6-cyclohexylcarbonyl-4,4-dimethyl-1,5,7,8-tetrahydropyrrolo[2,3-d]azepine-8-carboxylate

Systemtic Name: propan-2-yl 2-cyano-6-cyclohexylcarbonyl-4,4-dimethyl-1,5,7,8-tetrahydropyrrolo[2,3-d]azepine-8-carboxylate Openeye Name: isopropyl 2-cyano-6-(cyclohexanecarbonyl)-4,4-dimethyl-1,5,7,8-tetrahydropyrrolo[2,3-d]azepine-8-carboxylate CAS Name: 2-cyano-6-[cyclohexyl(oxo)methyl]-4,4-dimethyl-1,5,7,8-tetrahydropyrrolo[2,3-d]azepine-8-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-cyano-6-(cyclohexanecarbonyl)-4,4-dimethyl-1,5,7,8-tetrahydropyrrolo[2,3-d]azepine-8-carboxylate Traditional Name: 2-cyano-6-(cyclohexanecarbonyl)-4,4-dimethyl-1,5,7,8-tetrahydropyrrol[2,3-d]azepine-8-carboxylic acid isopropyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CN(CC(C2=C1NC(=C2)C#N)(C)C)C(=O)C3CCCCC3

Isomeric SMILES

CC(C)OC(=O)C1CN(CC(C2=C1NC(=C2)C#N)(C)C)C(=O)C3CCCCC3

InChI

InChI=1S/C22H31N3O3/c1-14(2)28-21(27)17-12-25(20(26)15-8-6-5-7-9-15)13-22(3,4)18-10-16(11-23)24-19(17)18/h10,14-15,17,24H,5-9,12-13H2,1-4H3