tert-butyl 4-[2-[4-[(2-bromophenyl)methyl]-2-tert-butyl-piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-[(2-bromophenyl)methyl]-2-tert-butyl-piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-[(2-bromophenyl)methyl]-2-tert-butyl-piperazin-1-yl]-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-[(2-bromophenyl)methyl]-2-tert-butyl-1-piperazinyl]-2-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-[(2-bromophenyl)methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-(2-bromobenzyl)-2-tert-butyl-piperazino]-2-keto-ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H42BrN3O3 MolecularWeight: 536.54468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)OC(C)(C)C)CC3=CC=CC=C3Br

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)OC(C)(C)C)CC3=CC=CC=C3Br

InChI

InChI=1S/C27H42BrN3O3/c1-26(2,3)23-19-29(18-21-9-7-8-10-22(21)28)15-16-31(23)24(32)17-20-11-13-30(14-12-20)25(33)34-27(4,5)6/h7-10,20,23H,11-19H2,1-6H3