N-[(2-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-[(2-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-[(2-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-[(2-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-(2-fluorobenzyl)-2-[4-(4-methoxyphenyl)piperazino]cinchoninamide Formula: C28H27FN4O2 MolecularWeight: 470.537983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CC=C5F

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CC=C5F

InChI

InChI=1S/C28H27FN4O2/c1-35-22-12-10-21(11-13-22)32-14-16-33(17-15-32)27-18-24(23-7-3-5-9-26(23)31-27)28(34)30-19-20-6-2-4-8-25(20)29/h2-13,18H,14-17,19H2,1H3,(H,30,34)