N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-N-(3-pyridylmethyl)-1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-N-(3-pyridinylmethyl)-1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-N-(3-pyridylmethyl)-1-[6-(2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C27H26FN5OS MolecularWeight: 487.591643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N(CC2=CC=C(C=C2)F)CC3=CN=CC=C3)C4=NN=C(C=C4)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)N(CC2=CC=C(C=C2)F)CC3=CN=CC=C3)C4=NN=C(C=C4)C5=CC=CS5

InChI

InChI=1S/C27H26FN5OS/c28-23-7-5-20(6-8-23)18-33(19-21-3-1-13-29-17-21)27(34)22-11-14-32(15-12-22)26-10-9-24(30-31-26)25-4-2-16-35-25/h1-10,13,16-17,22H,11-12,14-15,18-19H2