ethyl N-[3-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]carbonylphenyl]carbamate

Systemtic Name: ethyl N-[3-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]carbonylphenyl]carbamate Openeye Name: ethyl N-[3-[4-(5-chloro-2-fluoro-benzoyl)piperazine-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[4-(5-chloro-2-fluoro-benzoyl)piperazine-1-carbonyl]phenyl]carbamic acid ethyl ester Formula: C21H21ClFN3O4 MolecularWeight: 433.860543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFN3O4/c1-2-30-21(29)24-16-5-3-4-14(12-16)19(27)25-8-10-26(11-9-25)20(28)17-13-15(22)6-7-18(17)23/h3-7,12-13H,2,8-11H2,1H3,(H,24,29)