4-[(2,4-dichlorophenyl)methoxy]-3-(1-imidazol-1-yl-1-iodanyl-butyl)benzenecarbonitrile

Systemtic Name: 4-[(2,4-dichlorophenyl)methoxy]-3-(1-imidazol-1-yl-1-iodanyl-butyl)benzenecarbonitrile Openeye Name: 4-[(2,4-dichlorophenyl)methoxy]-3-(1-imidazol-1-yl-1-iodo-butyl)benzonitrile CAS Name: 4-[(2,4-dichlorophenyl)methoxy]-3-[1-(1-imidazolyl)-1-iodobutyl]benzonitrile IUPAC Name: 4-[(2,4-dichlorophenyl)methoxy]-3-(1-imidazol-1-yl-1-iodobutyl)benzonitrile Traditional Name: 4-(2,4-dichlorobenzyl)oxy-3-(1-imidazol-1-yl-1-iodo-butyl)benzonitrile Formula: C21H18Cl2IN3O MolecularWeight: 526.19759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC(=C1)C#N)OCC2=C(C=C(C=C2)Cl)Cl)(N3C=CN=C3)I

Isomeric SMILES

CCCC(C1=C(C=CC(=C1)C#N)OCC2=C(C=C(C=C2)Cl)Cl)(N3C=CN=C3)I

InChI

InChI=1S/C21H18Cl2IN3O/c1-2-7-21(24,27-9-8-26-14-27)18-10-15(12-25)3-6-20(18)28-13-16-4-5-17(22)11-19(16)23/h3-6,8-11,14H,2,7,13H2,1H3