N-(4-ethylphenyl)-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(4-ethylphenyl)-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide Openeye Name: N-(4-ethylphenyl)-4-[8-(4-fluorophenyl)-2-quinolyl]piperazine-1-carboxamide CAS Name: N-(4-ethylphenyl)-4-[8-(4-fluorophenyl)-2-quinolinyl]-1-piperazinecarboxamide IUPAC Name: N-(4-ethylphenyl)-4-[8-(4-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide Traditional Name: N-(4-ethylphenyl)-4-[8-(4-fluorophenyl)-2-quinolyl]piperazine-1-carboxamide Formula: C28H27FN4O MolecularWeight: 454.538583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=C(C=C5)F)C=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=C(C=C5)F)C=C3

InChI

InChI=1S/C28H27FN4O/c1-2-20-6-13-24(14-7-20)30-28(34)33-18-16-32(17-19-33)26-15-10-22-4-3-5-25(27(22)31-26)21-8-11-23(29)12-9-21/h3-15H,2,16-19H2,1H3,(H,30,34)