5-(4-chlorophenyl)-2-(6-piperidin-1-ylpyridazin-3-yl)pyrazole-3-carboxylate

Systemtic Name: 5-(4-chlorophenyl)-2-(6-piperidin-1-ylpyridazin-3-yl)pyrazole-3-carboxylate Openeye Name: 5-(4-chlorophenyl)-2-[6-(1-piperidyl)pyridazin-3-yl]pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-2-[6-(1-piperidinyl)-3-pyridazinyl]-3-pyrazolecarboxylate IUPAC Name: 5-(4-chlorophenyl)-2-(6-piperidin-1-ylpyridazin-3-yl)pyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-2-(6-piperidinopyridazin-3-yl)pyrazole-3-carboxylate Formula: C19H17ClN5O2- MolecularWeight: 382.82358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(C=C2)N3C(=CC(=N3)C4=CC=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NN=C(C=C2)N3C(=CC(=N3)C4=CC=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C19H18ClN5O2/c20-14-6-4-13(5-7-14)15-12-16(19(26)27)25(23-15)18-9-8-17(21-22-18)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11H2,(H,26,27)/p-1