ethyl 4-[[1-(2-pyrimidin-2-yloxyethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate

Systemtic Name: ethyl 4-[[1-(2-pyrimidin-2-yloxyethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate Openeye Name: ethyl 4-[[1-(2-pyrimidin-2-yloxyethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate CAS Name: 4-[[1-[2-(2-pyrimidinyloxy)ethyl]-2-benzimidazolyl]amino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(2-pyrimidin-2-yloxyethyl)benzimidazol-2-yl]amino]azepane-1-carboxylate Traditional Name: 4-[[1-[2-(2-pyrimidyloxy)ethyl]benzimidazol-2-yl]amino]azepane-1-carboxylic acid ethyl ester Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(CC1)NC2=NC3=CC=CC=C3N2CCOC4=NC=CC=N4

Isomeric SMILES

CCOC(=O)N1CCCC(CC1)NC2=NC3=CC=CC=C3N2CCOC4=NC=CC=N4

InChI

InChI=1S/C22H28N6O3/c1-2-30-22(29)27-13-5-7-17(10-14-27)25-20-26-18-8-3-4-9-19(18)28(20)15-16-31-21-23-11-6-12-24-21/h3-4,6,8-9,11-12,17H,2,5,7,10,13-16H2,1H3,(H,25,26)