2-(6-bromanyl-3,4-dihydro-1H-isochromen-1-yl)-1-[1-(4-phenylmethoxyphenyl)piperazin-2-yl]ethanone

Systemtic Name: 2-(6-bromanyl-3,4-dihydro-1H-isochromen-1-yl)-1-[1-(4-phenylmethoxyphenyl)piperazin-2-yl]ethanone Openeye Name: 1-[1-(4-benzyloxyphenyl)piperazin-2-yl]-2-(6-bromoisochroman-1-yl)ethanone CAS Name: 2-(6-bromo-3,4-dihydro-1H-2-benzopyran-1-yl)-1-[1-(4-phenylmethoxyphenyl)-2-piperazinyl]ethanone IUPAC Name: 2-(6-bromo-3,4-dihydro-1H-isochromen-1-yl)-1-[1-(4-phenylmethoxyphenyl)piperazin-2-yl]ethanone Traditional Name: 1-[1-(4-benzoxyphenyl)piperazin-2-yl]-2-(6-bromoisochroman-1-yl)ethanone Formula: C28H29BrN2O3 MolecularWeight: 521.44546

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C=C(C=C2)Br)CC(=O)C3CNCCN3C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1COC(C2=C1C=C(C=C2)Br)CC(=O)C3CNCCN3C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H29BrN2O3/c29-22-6-11-25-21(16-22)12-15-33-28(25)17-27(32)26-18-30-13-14-31(26)23-7-9-24(10-8-23)34-19-20-4-2-1-3-5-20/h1-11,16,26,28,30H,12-15,17-19H2