3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[4-(2,3-dihydrobenzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[4-(2,3-dihydrobenzofuran-5-yl)-1-piperazinyl]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-(4-coumaran-5-ylpiperazino)butyl]-1H-indole-5-carbonitrile Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)C#N

Isomeric SMILES

C1COC2=C1C=C(C=C2)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)C#N

InChI

InChI=1S/C25H28N4O/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/h4-7,15-16,18,27H,1-3,8-14H2