1-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(3,4-dimethylphenyl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(3,4-dimethylphenyl)-4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dimethylphenyl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(3,4-dimethylphenyl)-4-[4-(4-fluorobenzoyl)piperazino]butane-1,4-dione Formula: C23H25FN2O3 MolecularWeight: 396.454603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H25FN2O3/c1-16-3-4-19(15-17(16)2)21(27)9-10-22(28)25-11-13-26(14-12-25)23(29)18-5-7-20(24)8-6-18/h3-8,15H,9-14H2,1-2H3