2-[3-tert-butyl-5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzofuran-2-yl]benzenecarbonitrile

Systemtic Name: 2-[3-tert-butyl-5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzofuran-2-yl]benzenecarbonitrile Openeye Name: 2-[3-tert-butyl-5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]benzofuran-2-yl]benzonitrile CAS Name: 2-[3-tert-butyl-5-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-2-benzofuranyl]benzonitrile IUPAC Name: 2-[3-tert-butyl-5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzofuran-2-yl]benzonitrile Traditional Name: 2-[3-tert-butyl-5-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]benzofuran-2-yl]benzonitrile Formula: C28H30ClN3O2 MolecularWeight: 476.0097

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3C(C)(C)C)C4=CC=CC=C4C#N)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3C(C)(C)C)C4=CC=CC=C4C#N)CO)Cl

InChI

InChI=1S/C28H30ClN3O2/c1-5-6-11-24-31-27(29)22(17-33)32(24)16-18-12-13-23-21(14-18)25(28(2,3)4)26(34-23)20-10-8-7-9-19(20)15-30/h7-10,12-14,33H,5-6,11,16-17H2,1-4H3