4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-yl-1-iodanyl-butyl)benzenecarbonitrile

Systemtic Name: 4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-yl-1-iodanyl-butyl)benzenecarbonitrile Openeye Name: 4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-yl-1-iodo-butyl)benzonitrile CAS Name: 4-[(4-bromophenyl)methoxy]-3-[1-(1-imidazolyl)-1-iodobutyl]benzonitrile IUPAC Name: 4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-yl-1-iodobutyl)benzonitrile Traditional Name: 4-(4-bromobenzyl)oxy-3-(1-imidazol-1-yl-1-iodo-butyl)benzonitrile Formula: C21H19BrIN3O MolecularWeight: 536.20353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrIN3O/c1-2-9-21(23,26-11-10-25-15-26)19-12-17(13-24)5-8-20(19)27-14-16-3-6-18(22)7-4-16/h3-8,10-12,15H,2,9,14H2,1H3