5-[3-[3-[4-(2-pyridin-2-ylpropyl)piperazin-1-yl]propyl]-1-benzofuran-5-yl]pyrimidine

Systemtic Name: 5-[3-[3-[4-(2-pyridin-2-ylpropyl)piperazin-1-yl]propyl]-1-benzofuran-5-yl]pyrimidine Openeye Name: 5-[3-[3-[4-[2-(2-pyridyl)propyl]piperazin-1-yl]propyl]benzofuran-5-yl]pyrimidine CAS Name: 5-[3-[3-[4-[2-(2-pyridinyl)propyl]-1-piperazinyl]propyl]-5-benzofuranyl]pyrimidine IUPAC Name: 5-[3-[3-[4-(2-pyridin-2-ylpropyl)piperazin-1-yl]propyl]-1-benzofuran-5-yl]pyrimidine Traditional Name: 5-[3-[3-[4-[2-(2-pyridyl)propyl]piperazino]propyl]benzofuran-5-yl]pyrimidine Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)CCCC2=COC3=C2C=C(C=C3)C4=CN=CN=C4)C5=CC=CC=N5

Isomeric SMILES

CC(CN1CCN(CC1)CCCC2=COC3=C2C=C(C=C3)C4=CN=CN=C4)C5=CC=CC=N5

InChI

InChI=1S/C27H31N5O/c1-21(26-6-2-3-9-30-26)18-32-13-11-31(12-14-32)10-4-5-23-19-33-27-8-7-22(15-25(23)27)24-16-28-20-29-17-24/h2-3,6-9,15-17,19-21H,4-5,10-14,18H2,1H3