2-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]pyrimidine hydrochloride

Systemtic Name: 2-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]pyrimidine hydrochloride Openeye Name: 2-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine hydrochloride CAS Name: 2-[4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1-piperazinyl]pyrimidine hydrochloride IUPAC Name: 2-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]pyrimidine hydrochloride Traditional Name: 2-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]piperazino]pyrimidine hydrochloride Formula: C22H22ClN5O MolecularWeight: 407.89598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4)C5=NC=CC=N5.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4)C5=NC=CC=N5.Cl

InChI

InChI=1S/C22H21N5O.ClH/c1-3-18(15-23-6-1)17-4-5-21-19(13-17)14-20(28-21)16-26-9-11-27(12-10-26)22-24-7-2-8-25-22;/h1-8,13-15H,9-12,16H2;1H