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

Systemtic Name: 1-[4-[(5-bromanylpyridin-2-yl)-phenyl-methyl]-2-tert-butyl-piperazin-1-yl]-2-piperidin-4-yl-ethanone Openeye Name: 1-[4-[(5-bromo-2-pyridyl)-phenyl-methyl]-2-tert-butyl-piperazin-1-yl]-2-(4-piperidyl)ethanone CAS Name: 1-[4-[(5-bromo-2-pyridinyl)-phenylmethyl]-2-tert-butyl-1-piperazinyl]-2-(4-piperidinyl)ethanone IUPAC Name: 1-[4-[(5-bromopyridin-2-yl)-phenylmethyl]-2-tert-butylpiperazin-1-yl]-2-piperidin-4-ylethanone Traditional Name: 1-[4-[(5-bromo-2-pyridyl)-phenyl-methyl]-2-tert-butyl-piperazino]-2-(4-piperidyl)ethanone Formula: C27H37BrN4O MolecularWeight: 513.51288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37BrN4O/c1-27(2,3)24-19-31(15-16-32(24)25(33)17-20-11-13-29-14-12-20)26(21-7-5-4-6-8-21)23-10-9-22(28)18-30-23/h4-10,18,20,24,26,29H,11-17,19H2,1-3H3