(phenylmethyl) 4-[5-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[5-(4-pyridyl)-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidine-1-carboxylate CAS Name: 4-[5-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]-3-pyridazinyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(4-pyridyl)-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidine-1-carboxylic acid benzyl ester Formula: C29H25F3N4O2 MolecularWeight: 518.52961

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NN=C(C(=C2)C3=CC=NC=C3)C4=CC(=CC=C4)C(F)(F)F)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NN=C(C(=C2)C3=CC=NC=C3)C4=CC(=CC=C4)C(F)(F)F)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H25F3N4O2/c30-29(31,32)24-8-4-7-23(17-24)27-25(21-9-13-33-14-10-21)18-26(34-35-27)22-11-15-36(16-12-22)28(37)38-19-20-5-2-1-3-6-20/h1-10,13-14,17-18,22H,11-12,15-16,19H2