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

Systemtic Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-1-[4-(2-pyridylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-1-[4-(2-pyridinylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-coumaran-5-yl-1-[4-(2-pyridylmethyl)piperazino]prop-2-en-1-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C=CC(=O)N3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

C1COC2=C1C=C(C=C2)/C=C/C(=O)N3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C21H23N3O2/c25-21(7-5-17-4-6-20-18(15-17)8-14-26-20)24-12-10-23(11-13-24)16-19-3-1-2-9-22-19/h1-7,9,15H,8,10-14,16H2/b7-5+