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

Systemtic Name: [4-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-[3-(4-bromophenoxy)-2-hydroxy-propyl]piperazin-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-[3-(4-bromophenoxy)-2-hydroxypropyl]-1-piperazinyl]-(3-methoxyphenyl)methanone IUPAC Name: [4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [4-[3-(4-bromophenoxy)-2-hydroxy-propyl]piperazino]-(3-methoxyphenyl)methanone Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H25BrN2O4/c1-27-20-4-2-3-16(13-20)21(26)24-11-9-23(10-12-24)14-18(25)15-28-19-7-5-17(22)6-8-19/h2-8,13,18,25H,9-12,14-15H2,1H3