ethyl 4-[[1-[(4-fluorophenyl)methyl]-5-methyl-benzimidazol-2-yl]amino]azepane-1-carboxylate

Systemtic Name: ethyl 4-[[1-[(4-fluorophenyl)methyl]-5-methyl-benzimidazol-2-yl]amino]azepane-1-carboxylate Openeye Name: ethyl 4-[[1-[(4-fluorophenyl)methyl]-5-methyl-benzimidazol-2-yl]amino]azepane-1-carboxylate CAS Name: 4-[[1-[(4-fluorophenyl)methyl]-5-methyl-2-benzimidazolyl]amino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(4-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]amino]azepane-1-carboxylate Traditional Name: 4-[[1-(4-fluorobenzyl)-5-methyl-benzimidazol-2-yl]amino]azepane-1-carboxylic acid ethyl ester Formula: C24H29FN4O2 MolecularWeight: 424.511063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(CC1)NC2=NC3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)C

Isomeric SMILES

CCOC(=O)N1CCCC(CC1)NC2=NC3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)C

InChI

InChI=1S/C24H29FN4O2/c1-3-31-24(30)28-13-4-5-20(12-14-28)26-23-27-21-15-17(2)6-11-22(21)29(23)16-18-7-9-19(25)10-8-18/h6-11,15,20H,3-5,12-14,16H2,1-2H3,(H,26,27)