tert-butyl 4-[(6-cyano-3-oxidanylidene-1H-isoindol-2-yl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(6-cyano-3-oxidanylidene-1H-isoindol-2-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(5-cyano-1-oxo-isoindolin-2-yl)methyl]piperidine-1-carboxylate CAS Name: 4-[(6-cyano-3-oxo-1H-isoindol-2-yl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-cyano-3-oxo-1H-isoindol-2-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-[(5-cyano-1-keto-isoindolin-2-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CC3=C(C2=O)C=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CC3=C(C2=O)C=CC(=C3)C#N

InChI

InChI=1S/C20H25N3O3/c1-20(2,3)26-19(25)22-8-6-14(7-9-22)12-23-13-16-10-15(11-21)4-5-17(16)18(23)24/h4-5,10,14H,6-9,12-13H2,1-3H3