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

Systemtic Name: (E)-3-(3-phenoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-phenoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-phenoxyphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-phenoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-phenoxyphenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C=CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2/c28-22(26-14-16-27(17-15-26)23-24-12-5-13-25-23)11-10-19-6-4-9-21(18-19)29-20-7-2-1-3-8-20/h1-13,18H,14-17H2/b11-10+