(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid (1-propyltetrazol-5-yl)methyl ester Formula: C21H18FN5O2 MolecularWeight: 391.398323

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN5O2/c1-2-11-27-20(24-25-26-27)13-29-21(28)17-12-19(14-7-9-15(22)10-8-14)23-18-6-4-3-5-16(17)18/h3-10,12H,2,11,13H2,1H3