ethyl 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylate

Systemtic Name: ethyl 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylate Openeye Name: ethyl 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylate CAS Name: 4-[[1-[(4-fluorophenyl)methyl]-2-benzimidazolyl]amino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]azepane-1-carboxylate Traditional Name: 4-[[1-(4-fluorobenzyl)benzimidazol-2-yl]amino]azepane-1-carboxylic acid ethyl ester Formula: C23H27FN4O2 MolecularWeight: 410.484483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(CC1)NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CCCC(CC1)NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H27FN4O2/c1-2-30-23(29)27-14-5-6-19(13-15-27)25-22-26-20-7-3-4-8-21(20)28(22)16-17-9-11-18(24)12-10-17/h3-4,7-12,19H,2,5-6,13-16H2,1H3,(H,25,26)