2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethanenitrile

Systemtic Name: 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethanenitrile Openeye Name: 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]acetonitrile CAS Name: 2-[4-[[1-[(4-fluorophenyl)methyl]-2-benzimidazolyl]amino]-1-azepanyl]acetonitrile IUPAC Name: 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]acetonitrile Traditional Name: 2-[4-[[1-(4-fluorobenzyl)benzimidazol-2-yl]amino]azepan-1-yl]acetonitrile Formula: C22H24FN5 MolecularWeight: 377.457863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)CC#N)NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F

Isomeric SMILES

C1CC(CCN(C1)CC#N)NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN5/c23-18-9-7-17(8-10-18)16-28-21-6-2-1-5-20(21)26-22(28)25-19-4-3-13-27(14-11-19)15-12-24/h1-2,5-10,19H,3-4,11,13-16H2,(H,25,26)