2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[5-(2,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-(2,4-dimethoxyphenyl)-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CN4CCC5=CC=CC=C5C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CN4CCC5=CC=CC=C5C4)OC

InChI

InChI=1S/C28H29N3O3/c1-33-23-12-13-24(27(16-23)34-2)25-17-26(21-9-4-3-5-10-21)31(29-25)28(32)19-30-15-14-20-8-6-7-11-22(20)18-30/h3-13,16,26H,14-15,17-19H2,1-2H3