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

Systemtic Name: 3-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Formula: C26H22N4O2 MolecularWeight: 422.47848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4)C(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4)C(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C26H22N4O2/c27-16-19-3-1-4-21(13-19)26(31)30-11-9-29(10-12-30)18-24-15-23-14-20(6-7-25(23)32-24)22-5-2-8-28-17-22/h1-8,13-15,17H,9-12,18H2