ethyl 4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate

Systemtic Name: ethyl 4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate Openeye Name: ethyl 4-[[1-(2-pyridylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate CAS Name: 4-[[1-(2-pyridinylmethyl)-2-benzimidazolyl]amino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate Traditional Name: 4-[[1-(2-pyridylmethyl)benzimidazol-2-yl]amino]azepane-1-carboxylic acid ethyl ester Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(CC1)NC2=NC3=CC=CC=C3N2CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)N1CCCC(CC1)NC2=NC3=CC=CC=C3N2CC4=CC=CC=N4

InChI

InChI=1S/C22H27N5O2/c1-2-29-22(28)26-14-7-9-17(12-15-26)24-21-25-19-10-3-4-11-20(19)27(21)16-18-8-5-6-13-23-18/h3-6,8,10-11,13,17H,2,7,9,12,14-16H2,1H3,(H,24,25)