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

Systemtic Name: 5-[3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-1-benzofuran-5-yl]pyrimidine Openeye Name: 5-[3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]benzofuran-5-yl]pyrimidine CAS Name: 5-[3-[3-[4-(2-phenylpropyl)-1-piperazinyl]propyl]-5-benzofuranyl]pyrimidine IUPAC Name: 5-[3-[3-[4-(2-phenylpropyl)piperazin-1-yl]propyl]-1-benzofuran-5-yl]pyrimidine Traditional Name: 5-[3-[3-[4-(2-phenylpropyl)piperazino]propyl]benzofuran-5-yl]pyrimidine Formula: C28H32N4O MolecularWeight: 440.57988

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O/c1-22(23-6-3-2-4-7-23)19-32-14-12-31(13-15-32)11-5-8-25-20-33-28-10-9-24(16-27(25)28)26-17-29-21-30-18-26/h2-4,6-7,9-10,16-18,20-22H,5,8,11-15,19H2,1H3