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

Systemtic Name: tert-butyl 4-[2-[4-[(4-bromophenyl)-phenyl-methyl]-2-propan-2-yl-piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-[(4-bromophenyl)-phenyl-methyl]-2-isopropyl-piperazin-1-yl]-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-[(4-bromophenyl)-phenylmethyl]-2-propan-2-yl-1-piperazinyl]-2-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-[(4-bromophenyl)-phenylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-[(4-bromophenyl)-phenyl-methyl]-2-isopropyl-piperazino]-2-keto-ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C32H44BrN3O3 MolecularWeight: 598.61406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)OC(C)(C)C)C(C3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)OC(C)(C)C)C(C3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C32H44BrN3O3/c1-23(2)28-22-35(30(25-9-7-6-8-10-25)26-11-13-27(33)14-12-26)19-20-36(28)29(37)21-24-15-17-34(18-16-24)31(38)39-32(3,4)5/h6-14,23-24,28,30H,15-22H2,1-5H3