[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(3-iodanylphenyl)methanone

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(3-iodanylphenyl)methanone Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(3-iodophenyl)methanone CAS Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-(3-iodophenyl)methanone IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(3-iodophenyl)methanone Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-(3-iodophenyl)methanone Formula: C20H21IN2O3 MolecularWeight: 464.29681

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC(=CC=C4)I

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC(=CC=C4)I

InChI

InChI=1S/C20H21IN2O3/c21-17-3-1-2-16(13-17)20(24)23-8-6-22(7-9-23)14-15-4-5-18-19(12-15)26-11-10-25-18/h1-5,12-13H,6-11,14H2