tert-butyl 4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(benzylamino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(benzylamino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(benzylamino)-2-keto-ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H27N3O3 MolecularWeight: 333.42528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O3/c1-18(2,3)24-17(23)21-11-9-20(10-12-21)14-16(22)19-13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,19,22)