1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxy-ethanone

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxy-ethanone Openeye Name: 1-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxy-ethanone CAS Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-quinazolinyloxy)ethanone IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-yloxyethanone Traditional Name: 1-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-quinazolin-4-yloxy-ethanone Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)COC3=NC=NC4=CC=CC=C43)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)COC3=NC=NC4=CC=CC=C43)C5=CC=CS5)OC

InChI

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