[2-(1,3-benzodioxol-5-yl)-3-iodanyl-pyrrolidin-1-yl]-phenyl-methanone

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-3-iodanyl-pyrrolidin-1-yl]-phenyl-methanone Openeye Name: [2-(1,3-benzodioxol-5-yl)-3-iodo-pyrrolidin-1-yl]-phenyl-methanone CAS Name: [2-(1,3-benzodioxol-5-yl)-3-iodo-1-pyrrolidinyl]-phenylmethanone IUPAC Name: [2-(1,3-benzodioxol-5-yl)-3-iodopyrrolidin-1-yl]-phenylmethanone Traditional Name: [2-(1,3-benzodioxol-5-yl)-3-iodo-pyrrolidino]-phenyl-methanone Formula: C18H16INO3 MolecularWeight: 421.22901

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1I)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(C1I)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H16INO3/c19-14-8-9-20(18(21)12-4-2-1-3-5-12)17(14)13-6-7-15-16(10-13)23-11-22-15/h1-7,10,14,17H,8-9,11H2