5-(4-chlorophenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)pyrazole-3-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-2-(6-morpholinopyridazin-3-yl)pyrazole-3-carboxylic acid CAS Name: 5-(4-chlorophenyl)-2-[6-(4-morpholinyl)-3-pyridazinyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)pyrazole-3-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-2-(6-morpholinopyridazin-3-yl)pyrazole-3-carboxylic acid Formula: C18H16ClN5O3 MolecularWeight: 385.80434

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(C=C2)N3C(=CC(=N3)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1COCCN1C2=NN=C(C=C2)N3C(=CC(=N3)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C18H16ClN5O3/c19-13-3-1-12(2-4-13)14-11-15(18(25)26)24(22-14)17-6-5-16(20-21-17)23-7-9-27-10-8-23/h1-6,11H,7-10H2,(H,25,26)