2-(3-iodanylphenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-(3-iodanylphenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3-iodophenoxy)butan-1-one CAS Name: 2-(3-iodophenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3-iodophenoxy)butan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-(3-iodophenoxy)butan-1-one Formula: C21H25IN2O2 MolecularWeight: 464.33987

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=CC(=CC=C3)I

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=CC(=CC=C3)I

InChI

InChI=1S/C21H25IN2O2/c1-2-20(26-19-10-6-9-18(22)15-19)21(25)24-13-11-23(12-14-24)16-17-7-4-3-5-8-17/h3-10,15,20H,2,11-14,16H2,1H3