ethyl 4-[[1-[(4-fluorophenyl)methyl]-6-methoxy-benzimidazol-2-yl]amino]azepane-1-carboxylate

Systemtic Name: ethyl 4-[[1-[(4-fluorophenyl)methyl]-6-methoxy-benzimidazol-2-yl]amino]azepane-1-carboxylate Openeye Name: ethyl 4-[[1-[(4-fluorophenyl)methyl]-6-methoxy-benzimidazol-2-yl]amino]azepane-1-carboxylate CAS Name: 4-[[1-[(4-fluorophenyl)methyl]-6-methoxy-2-benzimidazolyl]amino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(4-fluorophenyl)methyl]-6-methoxybenzimidazol-2-yl]amino]azepane-1-carboxylate Traditional Name: 4-[[1-(4-fluorobenzyl)-6-methoxy-benzimidazol-2-yl]amino]azepane-1-carboxylic acid ethyl ester Formula: C24H29FN4O3 MolecularWeight: 440.510463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29FN4O3/c1-3-32-24(30)28-13-4-5-19(12-14-28)26-23-27-21-11-10-20(31-2)15-22(21)29(23)16-17-6-8-18(25)9-7-17/h6-11,15,19H,3-5,12-14,16H2,1-2H3,(H,26,27)