tert-butyl N-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C20H30FN3O4 MolecularWeight: 395.468303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30FN3O4/c1-20(2,3)28-19(26)22-8-7-18(25)24-11-9-23(10-12-24)14-15-5-6-17(27-4)16(21)13-15/h5-6,13H,7-12,14H2,1-4H3,(H,22,26)