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

Systemtic Name: (E)-3-(3,4-diethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-diethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-diethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3,4-diethoxyphenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)C3=NC=CC=N3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3)OCC

InChI

InChI=1S/C21H26N4O3/c1-3-27-18-8-6-17(16-19(18)28-4-2)7-9-20(26)24-12-14-25(15-13-24)21-22-10-5-11-23-21/h5-11,16H,3-4,12-15H2,1-2H3/b9-7+