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

Systemtic Name: 3-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O2S/c26-15-18-2-1-3-20(12-18)25(29)28-9-7-27(8-10-28)16-23-14-22-13-19(4-5-24(22)30-23)21-6-11-31-17-21/h1-6,11-14,17H,7-10,16H2