(E)-3-(2-ethyl-1-benzofuran-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(2-ethyl-1-benzofuran-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(2-ethylbenzofuran-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(2-ethyl-3-benzofuranyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-ethyl-1-benzofuran-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(2-ethylbenzofuran-3-yl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C=CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H22N4O2/c1-2-18-17(16-6-3-4-7-19(16)27-18)8-9-20(26)24-12-14-25(15-13-24)21-22-10-5-11-23-21/h3-11H,2,12-15H2,1H3/b9-8+