tert-butyl 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[1-[(4-fluorophenyl)methyl]-2-benzimidazolyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[1-(4-fluorobenzyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C24H29FN4O2 MolecularWeight: 424.511063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C24H29FN4O2/c1-24(2,3)31-23(30)28-14-6-13-27(15-16-28)22-26-20-7-4-5-8-21(20)29(22)17-18-9-11-19(25)12-10-18/h4-5,7-12H,6,13-17H2,1-3H3