tert-butyl 4-[2-(cyclopropylmethyl)-3-oxidanylidene-1H-isoindol-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(cyclopropylmethyl)-3-oxidanylidene-1H-isoindol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(cyclopropylmethyl)-3-oxo-isoindolin-5-yl]piperazine-1-carboxylate CAS Name: 4-[2-(cyclopropylmethyl)-3-oxo-1H-isoindol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(cyclopropylmethyl)-3-oxo-1H-isoindol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(cyclopropylmethyl)-3-keto-isoindolin-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CN(C3=O)CC4CC4)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CN(C3=O)CC4CC4)C=C2

InChI

InChI=1S/C21H29N3O3/c1-21(2,3)27-20(26)23-10-8-22(9-11-23)17-7-6-16-14-24(13-15-4-5-15)19(25)18(16)12-17/h6-7,12,15H,4-5,8-11,13-14H2,1-3H3