(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-1-[4-(4-pyridyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-1-(4-pyridin-4-yl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-1-[4-(4-pyridyl)piperazino]prop-2-en-1-one Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC(=O)N3CCN(CC3)C4=CC=NC=C4)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C(=O)N3CCN(CC3)C4=CC=NC=C4)O[C@H](C2)C

InChI

InChI=1S/C23H27N3O3/c1-3-28-21-16-19-14-17(2)29-22(19)15-18(21)4-5-23(27)26-12-10-25(11-13-26)20-6-8-24-9-7-20/h4-9,15-17H,3,10-14H2,1-2H3/b5-4+/t17-/m0/s1