ethyl 4-[4-(3,4-dimethylphenyl)carbonyl-2-fluoranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(3,4-dimethylphenyl)carbonyl-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(3,4-dimethylbenzoyl)-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(3,4-dimethylphenyl)-oxomethyl]-2-fluorophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4-dimethylbenzoyl)-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(3,4-dimethylbenzoyl)-2-fluoro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)C)C)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)C)C)F

InChI

InChI=1S/C22H25FN2O3/c1-4-28-22(27)25-11-9-24(10-12-25)20-8-7-18(14-19(20)23)21(26)17-6-5-15(2)16(3)13-17/h5-8,13-14H,4,9-12H2,1-3H3