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

Systemtic Name: [4-[3-(3-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-(4-ethylphenyl)methanone Openeye Name: [4-[3-(3-bromophenoxy)-2-hydroxy-propyl]piperazin-1-yl]-(4-ethylphenyl)methanone CAS Name: [4-[3-(3-bromophenoxy)-2-hydroxypropyl]-1-piperazinyl]-(4-ethylphenyl)methanone IUPAC Name: [4-[3-(3-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(4-ethylphenyl)methanone Traditional Name: [4-[3-(3-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(=CC=C3)Br)O

Isomeric SMILES

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

InChI

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