3-[[3-bromanyl-2-(2-nitrophenyl)-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carbonitrile

Systemtic Name: 3-[[3-bromanyl-2-(2-nitrophenyl)-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carbonitrile Openeye Name: 3-[[3-bromo-2-(2-nitrophenyl)benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carbonitrile CAS Name: 3-[[3-bromo-2-(2-nitrophenyl)-5-benzofuranyl]methyl]-5-cyclopropyl-2-ethyl-4-imidazolecarbonitrile IUPAC Name: 3-[[3-bromo-2-(2-nitrophenyl)-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethylimidazole-4-carbonitrile Traditional Name: 3-[[3-bromo-2-(2-nitrophenyl)benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carbonitrile Formula: C24H19BrN4O3 MolecularWeight: 491.33666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4[N+](=O)[O-])C#N)C5CC5

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4[N+](=O)[O-])C#N)C5CC5

InChI

InChI=1S/C24H19BrN4O3/c1-2-21-27-23(15-8-9-15)19(12-26)28(21)13-14-7-10-20-17(11-14)22(25)24(32-20)16-5-3-4-6-18(16)29(30)31/h3-7,10-11,15H,2,8-9,13H2,1H3