tert-butyl 4-[(5-fluoranyl-1H-indol-2-yl)methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-fluoranyl-1H-indol-2-yl)methyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[(5-fluoro-1H-indol-2-yl)methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(5-fluoro-1H-indol-2-yl)methyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-fluoro-1H-indol-2-yl)methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(5-fluoro-1H-indol-2-yl)methyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C19H26FN3O2 MolecularWeight: 347.427043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)CC2=CC3=C(N2)C=CC(=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)CC2=CC3=C(N2)C=CC(=C3)F

InChI

InChI=1S/C19H26FN3O2/c1-19(2,3)25-18(24)23-8-4-7-22(9-10-23)13-16-12-14-11-15(20)5-6-17(14)21-16/h5-6,11-12,21H,4,7-10,13H2,1-3H3