[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-iodanylphenyl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-iodanylphenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-(2-iodophenyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-(2-iodophenyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-iodophenyl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazino]-(2-iodophenyl)methanone Formula: C20H21IN2O2 MolecularWeight: 448.29741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC=CC=C4I

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC=CC=C4I

InChI

InChI=1S/C20H21IN2O2/c21-18-4-2-1-3-17(18)20(24)23-10-8-22(9-11-23)14-15-5-6-19-16(13-15)7-12-25-19/h1-6,13H,7-12,14H2