N-[2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-tert-butyl-benzamide

Systemtic Name: N-[2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-tert-butyl-benzamide Openeye Name: N-[2-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-2-oxo-ethyl]-4-tert-butyl-benzamide CAS Name: N-[2-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-2-oxoethyl]-4-tert-butylbenzamide IUPAC Name: N-[2-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-2-oxoethyl]-4-tert-butylbenzamide Traditional Name: N-[2-[4-(5-bromo-2-pyridyl)piperazino]-2-keto-ethyl]-4-tert-butyl-benzamide Formula: C22H27BrN4O2 MolecularWeight: 459.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C22H27BrN4O2/c1-22(2,3)17-6-4-16(5-7-17)21(29)25-15-20(28)27-12-10-26(11-13-27)19-9-8-18(23)14-24-19/h4-9,14H,10-13,15H2,1-3H3,(H,25,29)