1-[4-[(5-bromanylpyridin-2-yl)-(4-chlorophenyl)methyl]-2-tert-butyl-piperazin-1-yl]-2-piperidin-4-yl-ethanone

Systemtic Name: 1-[4-[(5-bromanylpyridin-2-yl)-(4-chlorophenyl)methyl]-2-tert-butyl-piperazin-1-yl]-2-piperidin-4-yl-ethanone Openeye Name: 1-[4-[(5-bromo-2-pyridyl)-(4-chlorophenyl)methyl]-2-tert-butyl-piperazin-1-yl]-2-(4-piperidyl)ethanone CAS Name: 1-[4-[(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-2-tert-butyl-1-piperazinyl]-2-(4-piperidinyl)ethanone IUPAC Name: 1-[4-[(5-bromopyridin-2-yl)-(4-chlorophenyl)methyl]-2-tert-butylpiperazin-1-yl]-2-piperidin-4-ylethanone Traditional Name: 1-[4-[(5-bromo-2-pyridyl)-(4-chlorophenyl)methyl]-2-tert-butyl-piperazino]-2-(4-piperidyl)ethanone Formula: C27H36BrClN4O MolecularWeight: 547.95794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)CC2CCNCC2)C(C3=CC=C(C=C3)Cl)C4=NC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)CC2CCNCC2)C(C3=CC=C(C=C3)Cl)C4=NC=C(C=C4)Br

InChI

InChI=1S/C27H36BrClN4O/c1-27(2,3)24-18-32(14-15-33(24)25(34)16-19-10-12-30-13-11-19)26(20-4-7-22(29)8-5-20)23-9-6-21(28)17-31-23/h4-9,17,19,24,26,30H,10-16,18H2,1-3H3