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

Systemtic Name: N-[2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-tert-butyl-benzamide Openeye Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-oxo-ethyl]-4-tert-butyl-benzamide CAS Name: N-[2-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-oxoethyl]-4-tert-butylbenzamide IUPAC Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-4-tert-butylbenzamide Traditional Name: N-[2-[4-(5-bromopyrimidin-2-yl)piperazino]-2-keto-ethyl]-4-tert-butyl-benzamide Formula: C21H26BrN5O2 MolecularWeight: 460.36744

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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=N3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

InChI

InChI=1S/C21H26BrN5O2/c1-21(2,3)16-6-4-15(5-7-16)19(29)23-14-18(28)26-8-10-27(11-9-26)20-24-12-17(22)13-25-20/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,29)