2-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-2,2-dicyclopentyl-ethanenitrile

Systemtic Name: 2-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-2,2-dicyclopentyl-ethanenitrile Openeye Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-2,2-dicyclopentyl-acetonitrile CAS Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]-2,2-dicyclopentylacetonitrile IUPAC Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-2,2-dicyclopentylacetonitrile Traditional Name: 2-[4-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]phenyl]-2,2-dicyclopentyl-acetonitrile Formula: C27H36ClN3O MolecularWeight: 454.04724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(C#N)(C3CCCC3)C4CCCC4)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(C#N)(C3CCCC3)C4CCCC4)CO)Cl

InChI

InChI=1S/C27H36ClN3O/c1-2-3-12-25-30-26(28)24(18-32)31(25)17-20-13-15-23(16-14-20)27(19-29,21-8-4-5-9-21)22-10-6-7-11-22/h13-16,21-22,32H,2-12,17-18H2,1H3