1-[4-[4-(3,4-dimethylphenyl)carbonyl-2-fluoranyl-phenyl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[4-(3,4-dimethylphenyl)carbonyl-2-fluoranyl-phenyl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[4-(3,4-dimethylbenzoyl)-2-fluoro-phenyl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[4-[(3,4-dimethylphenyl)-oxomethyl]-2-fluorophenyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[4-(3,4-dimethylbenzoyl)-2-fluorophenyl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[4-(3,4-dimethylbenzoyl)-2-fluoro-phenyl]piperazino]butan-1-one Formula: C23H27FN2O2 MolecularWeight: 382.471083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN2O2/c1-4-5-22(27)26-12-10-25(11-13-26)21-9-8-19(15-20(21)24)23(28)18-7-6-16(2)17(3)14-18/h6-9,14-15H,4-5,10-13H2,1-3H3