3-[4-[4-(1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile dihydrochloride

Systemtic Name: 3-[4-[4-(1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile dihydrochloride Openeye Name: 3-[4-[4-(benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile dihydrochloride CAS Name: 3-[4-[4-(5-benzofuranyl)-1-piperazinyl]butyl]-1H-indole-5-carbonitrile dihydrochloride IUPAC Name: 3-[4-[4-(1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile dihydrochloride Traditional Name: 3-[4-[4-(benzofuran-5-yl)piperazino]butyl]-1H-indole-5-carbonitrile dihydrochloride Formula: C25H28Cl2N4O MolecularWeight: 471.42202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC=C5.Cl.Cl

InChI

InChI=1S/C25H26N4O.2ClH/c26-17-19-4-6-24-23(15-19)21(18-27-24)3-1-2-9-28-10-12-29(13-11-28)22-5-7-25-20(16-22)8-14-30-25;;/h4-8,14-16,18,27H,1-3,9-13H2;2*1H