1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-methylquinolin-8-yl)oxy-ethanone

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-methylquinolin-8-yl)oxy-ethanone Openeye Name: 1-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-[(2-methyl-8-quinolyl)oxy]ethanone CAS Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[(2-methyl-8-quinolinyl)oxy]ethanone IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-methylquinolin-8-yl)oxyethanone Traditional Name: 1-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-[(2-methyl-8-quinolyl)oxy]ethanone Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC(=C(C=C5)OC)OC)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC(=C(C=C5)OC)OC)C=C1

InChI

InChI=1S/C27H25N3O4S/c1-17-9-10-18-6-4-7-23(27(18)28-17)34-16-26(31)30-21(15-20(29-30)25-8-5-13-35-25)19-11-12-22(32-2)24(14-19)33-3/h4-14,21H,15-16H2,1-3H3