tert-butyl 3-(4-cyanophenyl)carbonyl-3,9-diazaspiro[5.5]undecane-9-carboxylate

Systemtic Name: tert-butyl 3-(4-cyanophenyl)carbonyl-3,9-diazaspiro[5.5]undecane-9-carboxylate Openeye Name: tert-butyl 3-(4-cyanobenzoyl)-3,9-diazaspiro[5.5]undecane-9-carboxylate CAS Name: 3-[(4-cyanophenyl)-oxomethyl]-3,9-diazaspiro[5.5]undecane-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-cyanobenzoyl)-3,9-diazaspiro[5.5]undecane-9-carboxylate Traditional Name: 3-(4-cyanobenzoyl)-3,9-diazaspiro[5.5]undecane-9-carboxylic acid tert-butyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2(CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)CC1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2(CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)CC1

InChI

InChI=1S/C22H29N3O3/c1-21(2,3)28-20(27)25-14-10-22(11-15-25)8-12-24(13-9-22)19(26)18-6-4-17(16-23)5-7-18/h4-7H,8-15H2,1-3H3