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

Systemtic Name: 1-[4-[(5-bromanylpyridin-2-yl)-phenyl-methyl]-2-tert-butyl-piperazin-1-yl]-2-(1-ethanoylpiperidin-4-yl)ethanone Openeye Name: 2-(1-acetyl-4-piperidyl)-1-[4-[(5-bromo-2-pyridyl)-phenyl-methyl]-2-tert-butyl-piperazin-1-yl]ethanone CAS Name: 2-(1-acetyl-4-piperidinyl)-1-[4-[(5-bromo-2-pyridinyl)-phenylmethyl]-2-tert-butyl-1-piperazinyl]ethanone IUPAC Name: 2-(1-acetylpiperidin-4-yl)-1-[4-[(5-bromopyridin-2-yl)-phenylmethyl]-2-tert-butylpiperazin-1-yl]ethanone Traditional Name: 2-(1-acetyl-4-piperidyl)-1-[4-[(5-bromo-2-pyridyl)-phenyl-methyl]-2-tert-butyl-piperazino]ethanone Formula: C29H39BrN4O2 MolecularWeight: 555.54956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)CC(=O)N2CCN(CC2C(C)(C)C)C(C3=CC=CC=C3)C4=NC=C(C=C4)Br

Isomeric SMILES

CC(=O)N1CCC(CC1)CC(=O)N2CCN(CC2C(C)(C)C)C(C3=CC=CC=C3)C4=NC=C(C=C4)Br

InChI

InChI=1S/C29H39BrN4O2/c1-21(35)32-14-12-22(13-15-32)18-27(36)34-17-16-33(20-26(34)29(2,3)4)28(23-8-6-5-7-9-23)25-11-10-24(30)19-31-25/h5-11,19,22,26,28H,12-18,20H2,1-4H3