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

Systemtic Name: 1-[3-(2-chloranyl-6-methoxy-quinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[3-(2-chloro-6-methoxy-3-quinolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[3-(2-chloro-6-methoxy-3-quinolinyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[3-(2-chloro-6-methoxyquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[5-(2-chloro-6-methoxy-3-quinolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]propan-1-one Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O2S/c1-3-19(25)24-17(11-16(23-24)18-5-4-8-27-18)14-10-12-9-13(26-2)6-7-15(12)22-20(14)21/h4-10,17H,3,11H2,1-2H3