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

Systemtic Name: 1-[4-[(5-bromanylpyridin-2-yl)methyl]-2-tert-butyl-piperazin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone Openeye Name: 1-[4-[(5-bromo-2-pyridyl)methyl]-2-tert-butyl-piperazin-1-yl]-2-(1-methyl-4-piperidyl)ethanone CAS Name: 1-[4-[(5-bromo-2-pyridinyl)methyl]-2-tert-butyl-1-piperazinyl]-2-(1-methyl-4-piperidinyl)ethanone IUPAC Name: 1-[4-[(5-bromopyridin-2-yl)methyl]-2-tert-butylpiperazin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone Traditional Name: 1-[4-[(5-bromo-2-pyridyl)methyl]-2-tert-butyl-piperazino]-2-(1-methyl-4-piperidyl)ethanone Formula: C22H35BrN4O MolecularWeight: 451.4435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)CC2CCN(CC2)C)CC3=NC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)CC2CCN(CC2)C)CC3=NC=C(C=C3)Br

InChI

InChI=1S/C22H35BrN4O/c1-22(2,3)20-16-26(15-19-6-5-18(23)14-24-19)11-12-27(20)21(28)13-17-7-9-25(4)10-8-17/h5-6,14,17,20H,7-13,15-16H2,1-4H3