1-[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]cinnolin-4-one

Systemtic Name: 1-[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]cinnolin-4-one Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CN3C4=CC=CC=C4C(=O)C=N3)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=NN2C(=O)CN3C4=CC=CC=C4C(=O)C=N3)C5=CC=CS5)OC

InChI

InChI=1S/C25H22N4O4S/c1-32-22-10-9-16(12-23(22)33-2)20-13-18(24-8-5-11-34-24)27-29(20)25(31)15-28-19-7-4-3-6-17(19)21(30)14-26-28/h3-12,14,20H,13,15H2,1-2H3/t20-/m1/s1