4-[(7-bromanyl-2,3-dimethyl-1-benzofuran-4-yl)-fluoranyl-imidazol-1-yl-methyl]benzenecarbonitrile

Systemtic Name: 4-[(7-bromanyl-2,3-dimethyl-1-benzofuran-4-yl)-fluoranyl-imidazol-1-yl-methyl]benzenecarbonitrile Openeye Name: 4-[(7-bromo-2,3-dimethyl-benzofuran-4-yl)-fluoro-imidazol-1-yl-methyl]benzonitrile CAS Name: 4-[(7-bromo-2,3-dimethyl-4-benzofuranyl)-fluoro-(1-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)-fluoro-imidazol-1-ylmethyl]benzonitrile Traditional Name: 4-[(7-bromo-2,3-dimethyl-benzofuran-4-yl)-fluoro-imidazol-1-yl-methyl]benzonitrile Formula: C21H15BrFN3O MolecularWeight: 424.265703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C=CC(=C12)C(C3=CC=C(C=C3)C#N)(N4C=CN=C4)F)Br)C

Isomeric SMILES

CC1=C(OC2=C(C=CC(=C12)C(C3=CC=C(C=C3)C#N)(N4C=CN=C4)F)Br)C

InChI

InChI=1S/C21H15BrFN3O/c1-13-14(2)27-20-18(22)8-7-17(19(13)20)21(23,26-10-9-25-12-26)16-5-3-15(11-24)4-6-16/h3-10,12H,1-2H3