(E)-3-(4-bromophenyl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-bromophenyl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-bromophenyl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-bromophenyl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-bromophenyl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-bromophenyl)-1-[4-(coumaran-5-ylmethyl)piperazino]prop-2-en-1-one Formula: C22H23BrN2O2 MolecularWeight: 427.33422

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C=CC4=CC=C(C=C4)Br

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)/C=C/C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H23BrN2O2/c23-20-5-1-17(2-6-20)4-8-22(26)25-12-10-24(11-13-25)16-18-3-7-21-19(15-18)9-14-27-21/h1-8,15H,9-14,16H2/b8-4+