5-[4-[4-(5-methoxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carbonitrile

Systemtic Name: 5-[4-[4-(5-methoxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carbonitrile Openeye Name: 5-[4-[4-(5-methoxy-1H-indol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carbonitrile CAS Name: 5-[4-[4-(5-methoxy-1H-indol-3-yl)butyl]-1-piperazinyl]-2-benzofurancarbonitrile IUPAC Name: 5-[4-[4-(5-methoxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carbonitrile Traditional Name: 5-[4-[4-(5-methoxy-1H-indol-3-yl)butyl]piperazino]coumarilonitrile Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4=CC5=C(C=C4)OC(=C5)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4=CC5=C(C=C4)OC(=C5)C#N

InChI

InChI=1S/C26H28N4O2/c1-31-22-6-7-25-24(16-22)19(18-28-25)4-2-3-9-29-10-12-30(13-11-29)21-5-8-26-20(14-21)15-23(17-27)32-26/h5-8,14-16,18,28H,2-4,9-13H2,1H3