[4-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-(4-ethylphenyl)methanone

Systemtic Name: [4-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-(4-ethylphenyl)methanone Openeye Name: [4-[3-(4-bromophenoxy)-2-hydroxy-propyl]piperazin-1-yl]-(4-ethylphenyl)methanone CAS Name: [4-[3-(4-bromophenoxy)-2-hydroxypropyl]-1-piperazinyl]-(4-ethylphenyl)methanone IUPAC Name: [4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(4-ethylphenyl)methanone Traditional Name: [4-[3-(4-bromophenoxy)-2-hydroxy-propyl]piperazino]-(4-ethylphenyl)methanone Formula: C22H27BrN2O3 MolecularWeight: 447.36538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C22H27BrN2O3/c1-2-17-3-5-18(6-4-17)22(27)25-13-11-24(12-14-25)15-20(26)16-28-21-9-7-19(23)8-10-21/h3-10,20,26H,2,11-16H2,1H3