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

Systemtic Name: (E)-3-(2-ethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide Openeye Name: (E)-3-(2-ethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide CAS Name: (E)-3-(2-ethoxyphenyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-2-propenamide IUPAC Name: (E)-3-(2-ethoxyphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide Traditional Name: (E)-3-o-phenetyl-N-[3-[4-(2-pyrimidyl)piperazino]propyl]acrylamide Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H29N5O2/c1-2-29-20-8-4-3-7-19(20)9-10-21(28)23-13-6-14-26-15-17-27(18-16-26)22-24-11-5-12-25-22/h3-5,7-12H,2,6,13-18H2,1H3,(H,23,28)/b10-9+