methyl 3-[3-[4-(1-benzofuran-5-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxylate

Systemtic Name: methyl 3-[3-[4-(1-benzofuran-5-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxylate Openeye Name: methyl 3-[3-[4-(benzofuran-5-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxylate CAS Name: 3-[3-[4-(5-benzofuranyl)-1-piperazinyl]propyl]-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-(1-benzofuran-5-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxylate Traditional Name: 3-[3-[4-(benzofuran-5-yl)piperazino]propyl]-1H-indole-5-carboxylic acid methyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC=C2CCCN3CCN(CC3)C4=CC5=C(C=C4)OC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC=C2CCCN3CCN(CC3)C4=CC5=C(C=C4)OC=C5

InChI

InChI=1S/C25H27N3O3/c1-30-25(29)19-4-6-23-22(16-19)20(17-26-23)3-2-9-27-10-12-28(13-11-27)21-5-7-24-18(15-21)8-14-31-24/h4-8,14-17,26H,2-3,9-13H2,1H3