1-[3-(2-chloranyl-6-ethoxy-quinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 1-[3-(2-chloranyl-6-ethoxy-quinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[3-(2-chloro-6-ethoxy-3-quinolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[3-(2-chloro-6-ethoxy-3-quinolinyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[3-(2-chloro-6-ethoxyquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[5-(2-chloro-6-ethoxy-3-quinolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]propan-1-one Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=C(N=C4C=CC(=CC4=C3)OCC)Cl

Isomeric SMILES

CCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=C(N=C4C=CC(=CC4=C3)OCC)Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-3-20(26)25-18(12-17(24-25)19-6-5-9-28-19)15-11-13-10-14(27-4-2)7-8-16(13)23-21(15)22/h5-11,18H,3-4,12H2,1-2H3