tert-butyl 4-[[2-[(2-chloranylethanoylamino)methyl]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[(2-chloranylethanoylamino)methyl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-[[(2-chloroacetyl)amino]methyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[(2-chloro-1-oxoethyl)amino]methyl]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[[(2-chloroacetyl)amino]methyl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[(2-chloroacetyl)amino]methyl]benzyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H28ClN3O3 MolecularWeight: 381.89692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=CC=C2CNC(=O)CCl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=CC=C2CNC(=O)CCl

InChI

InChI=1S/C19H28ClN3O3/c1-19(2,3)26-18(25)23-10-8-22(9-11-23)14-16-7-5-4-6-15(16)13-21-17(24)12-20/h4-7H,8-14H2,1-3H3,(H,21,24)