3-[(3-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)benzenecarbonitrile

Systemtic Name: 3-[(3-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)benzenecarbonitrile Openeye Name: 3-[(3-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)benzonitrile CAS Name: 3-[(3-bromophenyl)methoxy]-4-[1-(1-imidazolyl)butyl]benzonitrile IUPAC Name: 3-[(3-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)benzonitrile Traditional Name: 3-(3-bromobenzyl)oxy-4-(1-imidazol-1-ylbutyl)benzonitrile Formula: C21H20BrN3O MolecularWeight: 410.307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O/c1-2-4-20(25-10-9-24-15-25)19-8-7-16(13-23)12-21(19)26-14-17-5-3-6-18(22)11-17/h3,5-12,15,20H,2,4,14H2,1H3