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

Systemtic Name: 4-[(3-bromophenyl)methoxy]-3-(1-imidazol-1-yl-1-iodanyl-butyl)benzenecarbonitrile Openeye Name: 4-[(3-bromophenyl)methoxy]-3-(1-imidazol-1-yl-1-iodo-butyl)benzonitrile CAS Name: 4-[(3-bromophenyl)methoxy]-3-[1-(1-imidazolyl)-1-iodobutyl]benzonitrile IUPAC Name: 4-[(3-bromophenyl)methoxy]-3-(1-imidazol-1-yl-1-iodobutyl)benzonitrile Traditional Name: 4-(3-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(=CC=C2)Br)(N3C=CN=C3)I

Isomeric SMILES

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

InChI

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