2-[3-ethyl-5-[5-[3-(3-iodanylphenoxy)phenyl]-1-methyl-4-oxidanylidene-pyridin-3-yl]phenyl]ethanenitrile

Systemtic Name: 2-[3-ethyl-5-[5-[3-(3-iodanylphenoxy)phenyl]-1-methyl-4-oxidanylidene-pyridin-3-yl]phenyl]ethanenitrile Openeye Name: 2-[3-ethyl-5-[5-[3-(3-iodophenoxy)phenyl]-1-methyl-4-oxo-3-pyridyl]phenyl]acetonitrile CAS Name: 2-[3-ethyl-5-[5-[3-(3-iodophenoxy)phenyl]-1-methyl-4-oxo-3-pyridinyl]phenyl]acetonitrile IUPAC Name: 2-[3-ethyl-5-[5-[3-(3-iodophenoxy)phenyl]-1-methyl-4-oxopyridin-3-yl]phenyl]acetonitrile Traditional Name: 2-[3-ethyl-5-[5-[3-(3-iodophenoxy)phenyl]-4-keto-1-methyl-3-pyridyl]phenyl]acetonitrile Formula: C28H23IN2O2 MolecularWeight: 546.39889

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)CC#N)C2=CN(C=C(C2=O)C3=CC(=CC=C3)OC4=CC(=CC=C4)I)C

Isomeric SMILES

CCC1=CC(=CC(=C1)CC#N)C2=CN(C=C(C2=O)C3=CC(=CC=C3)OC4=CC(=CC=C4)I)C

InChI

InChI=1S/C28H23IN2O2/c1-3-19-12-20(10-11-30)14-22(13-19)27-18-31(2)17-26(28(27)32)21-6-4-8-24(15-21)33-25-9-5-7-23(29)16-25/h4-9,12-18H,3,10H2,1-2H3