[2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

Systemtic Name: [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone Openeye Name: [2-(3,4-dimethylphenyl)-4-quinolyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone CAS Name: [2-(3,4-dimethylphenyl)-4-quinolinyl]-[4-(2-fluorophenyl)-1-piperazinyl]methanone IUPAC Name: [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone Traditional Name: [2-(3,4-dimethylphenyl)-4-quinolyl]-[4-(2-fluorophenyl)piperazino]methanone Formula: C28H26FN3O MolecularWeight: 439.523943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=C5F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=C5F)C

InChI

InChI=1S/C28H26FN3O/c1-19-11-12-21(17-20(19)2)26-18-23(22-7-3-5-9-25(22)30-26)28(33)32-15-13-31(14-16-32)27-10-6-4-8-24(27)29/h3-12,17-18H,13-16H2,1-2H3