4-[4,4-dimethyl-2,5-bis(oxidanylidene)-3-(3-phenylpropyl)imidazolidin-1-yl]-2-iodanyl-benzenecarbonitrile

Systemtic Name: 4-[4,4-dimethyl-2,5-bis(oxidanylidene)-3-(3-phenylpropyl)imidazolidin-1-yl]-2-iodanyl-benzenecarbonitrile Openeye Name: 4-[4,4-dimethyl-2,5-dioxo-3-(3-phenylpropyl)imidazolidin-1-yl]-2-iodo-benzonitrile CAS Name: 4-[4,4-dimethyl-2,5-dioxo-3-(3-phenylpropyl)-1-imidazolidinyl]-2-iodobenzonitrile IUPAC Name: 4-[4,4-dimethyl-2,5-dioxo-3-(3-phenylpropyl)imidazolidin-1-yl]-2-iodobenzonitrile Traditional Name: 4-[2,5-diketo-4,4-dimethyl-3-(3-phenylpropyl)imidazolidin-1-yl]-2-iodo-benzonitrile Formula: C21H20IN3O2 MolecularWeight: 473.30687

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)N1CCCC2=CC=CC=C2)C3=CC(=C(C=C3)C#N)I)C

Isomeric SMILES

CC1(C(=O)N(C(=O)N1CCCC2=CC=CC=C2)C3=CC(=C(C=C3)C#N)I)C

InChI

InChI=1S/C21H20IN3O2/c1-21(2)19(26)25(17-11-10-16(14-23)18(22)13-17)20(27)24(21)12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3