4-[[2-ethyl-5-(2-hydroxyethyloxy)-6-iodanyl-cyclohexa-1,5-dien-1-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[2-ethyl-5-(2-hydroxyethyloxy)-6-iodanyl-cyclohexa-1,5-dien-1-yl]amino]benzenecarbonitrile Openeye Name: 4-[[2-ethyl-5-(2-hydroxyethoxy)-6-iodo-cyclohexa-1,5-dien-1-yl]amino]benzonitrile CAS Name: 4-[[2-ethyl-5-(2-hydroxyethoxy)-6-iodo-1-cyclohexa-1,5-dienyl]amino]benzonitrile IUPAC Name: 4-[[2-ethyl-5-(2-hydroxyethoxy)-6-iodocyclohexa-1,5-dien-1-yl]amino]benzonitrile Traditional Name: 4-[[2-ethyl-5-(2-hydroxyethoxy)-6-iodo-cyclohexa-1,5-dien-1-yl]amino]benzonitrile Formula: C17H19IN2O2 MolecularWeight: 410.24943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(CC1)OCCO)I)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1=C(C(=C(CC1)OCCO)I)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H19IN2O2/c1-2-13-5-8-15(22-10-9-21)16(18)17(13)20-14-6-3-12(11-19)4-7-14/h3-4,6-7,20-21H,2,5,8-10H2,1H3