2-(2-bromanyl-4-methyl-phenoxy)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-bromo-4-methyl-phenoxy)propan-1-one CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-2-(2-bromo-4-methylphenoxy)-1-propanone IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-bromo-4-methylphenoxy)propan-1-one Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-2-(2-bromo-4-methyl-phenoxy)propan-1-one Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)Br

InChI

InChI=1S/C22H25BrN2O3/c1-15-4-9-21(20(23)14-15)28-17(3)22(27)25-12-10-24(11-13-25)19-7-5-18(6-8-19)16(2)26/h4-9,14,17H,10-13H2,1-3H3