(E)-3-(3,4-dimethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]acrylamide Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3)OC

InChI

InChI=1S/C22H29N5O3/c1-29-19-7-5-18(17-20(19)30-2)6-8-21(28)23-11-4-12-26-13-15-27(16-14-26)22-24-9-3-10-25-22/h3,5-10,17H,4,11-16H2,1-2H3,(H,23,28)/b8-6+