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

Systemtic Name: tert-butyl 4-[2-[4-[(4-bromophenyl)-phenyl-methyl]-2-tert-butyl-piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-[(4-bromophenyl)-phenyl-methyl]-2-tert-butyl-piperazin-1-yl]-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-[(4-bromophenyl)-phenylmethyl]-2-tert-butyl-1-piperazinyl]-2-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-[(4-bromophenyl)-phenylmethyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-[(4-bromophenyl)-phenyl-methyl]-2-tert-butyl-piperazino]-2-keto-ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C33H46BrN3O3 MolecularWeight: 612.64064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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)(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/C33H46BrN3O3/c1-32(2,3)28-23-36(30(25-10-8-7-9-11-25)26-12-14-27(34)15-13-26)20-21-37(28)29(38)22-24-16-18-35(19-17-24)31(39)40-33(4,5)6/h7-15,24,28,30H,16-23H2,1-6H3