tert-butyl N-[4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]carbamate

Systemtic Name: tert-butyl N-[4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]-4-oxo-butyl]carbamate CAS Name: N-[4-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-4-oxobutyl]carbamate Traditional Name: N-[4-[4-(5-fluoro-2-methoxy-benzyl)piperazino]-4-keto-butyl]carbamic acid tert-butyl ester Formula: C21H32FN3O4 MolecularWeight: 409.494883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)N1CCN(CC1)CC2=C(C=CC(=C2)F)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)N1CCN(CC1)CC2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C21H32FN3O4/c1-21(2,3)29-20(27)23-9-5-6-19(26)25-12-10-24(11-13-25)15-16-14-17(22)7-8-18(16)28-4/h7-8,14H,5-6,9-13,15H2,1-4H3,(H,23,27)