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

Systemtic Name: (E)-3-(4-ethylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-ethylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-ethylphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-ethylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-ethylphenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C19H22N4O MolecularWeight: 322.40418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H22N4O/c1-2-16-4-6-17(7-5-16)8-9-18(24)22-12-14-23(15-13-22)19-20-10-3-11-21-19/h3-11H,2,12-15H2,1H3/b9-8+