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

Systemtic Name: tert-butyl 4-[2-chloranyl-3-oxidanylidene-1-(phenylmethyl)-1H-isoindol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(1-benzyl-2-chloro-3-oxo-isoindolin-5-yl)piperazine-1-carboxylate CAS Name: 4-[2-chloro-3-oxo-1-(phenylmethyl)-1H-isoindol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-benzyl-2-chloro-3-oxo-1H-isoindol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(1-benzyl-2-chloro-3-keto-isoindolin-5-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H28ClN3O3 MolecularWeight: 441.95042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(N(C3=O)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(N(C3=O)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H28ClN3O3/c1-24(2,3)31-23(30)27-13-11-26(12-14-27)18-9-10-19-20(16-18)22(29)28(25)21(19)15-17-7-5-4-6-8-17/h4-10,16,21H,11-15H2,1-3H3