(E)-3-(4-butoxy-3-methoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-butoxy-3-methoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-butoxy-3-methoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-butoxy-3-methoxyphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-butoxy-3-methoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-butoxy-3-methoxy-phenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)C3=NC=CC=N3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3)OC

InChI

InChI=1S/C22H28N4O3/c1-3-4-16-29-19-8-6-18(17-20(19)28-2)7-9-21(27)25-12-14-26(15-13-25)22-23-10-5-11-24-22/h5-11,17H,3-4,12-16H2,1-2H3/b9-7+