ethyl N-[3-fluoranyl-4-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]carbamate

Systemtic Name: ethyl N-[3-fluoranyl-4-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]carbamate Openeye Name: ethyl N-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]carbamate CAS Name: N-[3-fluoro-4-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]carbamate Traditional Name: N-[3-fluoro-4-[4-(2-phenylacetyl)piperazino]phenyl]carbamic acid ethyl ester Formula: C21H24FN3O3 MolecularWeight: 385.431963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=CC=C3)F

Isomeric SMILES

CCOC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=CC=C3)F

InChI

InChI=1S/C21H24FN3O3/c1-2-28-21(27)23-17-8-9-19(18(22)15-17)24-10-12-25(13-11-24)20(26)14-16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3,(H,23,27)