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

Systemtic Name: 3-[[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]piperazino]methyl]benzonitrile Formula: C25H23N3OS MolecularWeight: 413.53462

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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=CSC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C25H23N3OS/c26-15-19-2-1-3-20(12-19)16-27-7-9-28(10-8-27)17-24-14-23-13-21(4-5-25(23)29-24)22-6-11-30-18-22/h1-6,11-14,18H,7-10,16-17H2