[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: [3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid [3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl ester Formula: C36H24FN3O2 MolecularWeight: 549.593063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC7=CC=CC=C76

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC7=CC=CC=C76

InChI

InChI=1S/C36H24FN3O2/c37-27-19-17-25(18-20-27)35-26(22-40(39-35)28-11-2-1-3-12-28)23-42-36(41)32-21-34(38-33-16-7-6-14-31(32)33)30-15-8-10-24-9-4-5-13-29(24)30/h1-22H,23H2