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

Systemtic Name: (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-isobutoxy-3-methoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-isobutoxy-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:

CC(C)COC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)C3=NC=CC=N3)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3)OC

InChI

InChI=1S/C22H28N4O3/c1-17(2)16-29-19-7-5-18(15-20(19)28-3)6-8-21(27)25-11-13-26(14-12-25)22-23-9-4-10-24-22/h4-10,15,17H,11-14,16H2,1-3H3/b8-6+