(phenylmethyl) 4-[5-(2-fluoranylpyridin-4-yl)pyridazin-3-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-(2-fluoranylpyridin-4-yl)pyridazin-3-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[5-(2-fluoro-4-pyridyl)pyridazin-3-yl]piperidine-1-carboxylate CAS Name: 4-[5-(2-fluoro-4-pyridinyl)-3-pyridazinyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-(2-fluoropyridin-4-yl)pyridazin-3-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(2-fluoro-4-pyridyl)pyridazin-3-yl]piperidine-1-carboxylic acid benzyl ester Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NN=CC(=C2)C3=CC(=NC=C3)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=NN=CC(=C2)C3=CC(=NC=C3)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21FN4O2/c23-21-13-18(6-9-24-21)19-12-20(26-25-14-19)17-7-10-27(11-8-17)22(28)29-15-16-4-2-1-3-5-16/h1-6,9,12-14,17H,7-8,10-11,15H2