1-[4-(5-bromanylfuran-2-yl)carbonylpiperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone

Systemtic Name: 1-[4-(5-bromanylfuran-2-yl)carbonylpiperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone Openeye Name: 1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone CAS Name: 1-[4-[(5-bromo-2-furanyl)-oxomethyl]-1-piperazinyl]-2-(4-tert-butylphenoxy)ethanone IUPAC Name: 1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone Traditional Name: 1-[4-(5-bromo-2-furoyl)piperazino]-2-(4-tert-butylphenoxy)ethanone Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C21H25BrN2O4/c1-21(2,3)15-4-6-16(7-5-15)27-14-19(25)23-10-12-24(13-11-23)20(26)17-8-9-18(22)28-17/h4-9H,10-14H2,1-3H3