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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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