5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethoxy]-2-(pyridin-3-ylmethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethoxy]-2-(pyridin-3-ylmethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 5-[2-[3-(4-fluorophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethoxy]-2-(3-pyridylmethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-2-(3-pyridinylmethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-2-(pyridin-3-ylmethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 5-[2-[5-(4-fluorophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethoxy]-2-(3-pyridylmethyl)-3,4-dihydroisocarbostyril Formula: C30H25FN4O3S MolecularWeight: 540.607903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C(=CC=C2)OCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CC6=CN=CC=C6

Isomeric SMILES

C1CN(C(=O)C2=C1C(=CC=C2)OCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CC6=CN=CC=C6

InChI

InChI=1S/C30H25FN4O3S/c31-22-10-8-21(9-11-22)26-16-25(28-7-3-15-39-28)33-35(26)29(36)19-38-27-6-1-5-24-23(27)12-14-34(30(24)37)18-20-4-2-13-32-17-20/h1-11,13,15,17,26H,12,14,16,18-19H2