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

Systemtic Name: 3-[[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]piperazin-1-yl]methyl]benzonitrile hydrochloride CAS Name: 3-[[4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1-piperazinyl]methyl]benzonitrile hydrochloride IUPAC Name: 3-[[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile hydrochloride Traditional Name: 3-[[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]piperazino]methyl]benzonitrile hydrochloride Formula: C26H25ClN4O MolecularWeight: 444.9559

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5.Cl

InChI

InChI=1S/C26H24N4O.ClH/c27-16-20-3-1-4-21(13-20)18-29-9-11-30(12-10-29)19-25-15-24-14-22(6-7-26(24)31-25)23-5-2-8-28-17-23;/h1-8,13-15,17H,9-12,18-19H2;1H