(5-bromanylfuran-2-yl)-[(3R)-5-(3,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone

Systemtic Name: (5-bromanylfuran-2-yl)-[(3R)-5-(3,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone Openeye Name: (5-bromo-2-furyl)-[(3R)-5-(3,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone CAS Name: (5-bromo-2-furanyl)-[(3R)-5-(3,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone IUPAC Name: (5-bromofuran-2-yl)-[(3R)-5-(3,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone Traditional Name: (5-bromo-2-furyl)-[(5R)-3-(3,4-dimethoxyphenyl)-5-phenyl-2-pyrazolin-1-yl]methanone Formula: C22H19BrN2O4 MolecularWeight: 455.30126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)C4=CC=C(O4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN([C@H](C2)C3=CC=CC=C3)C(=O)C4=CC=C(O4)Br)OC

InChI

InChI=1S/C22H19BrN2O4/c1-27-18-9-8-15(12-20(18)28-2)16-13-17(14-6-4-3-5-7-14)25(24-16)22(26)19-10-11-21(23)29-19/h3-12,17H,13H2,1-2H3/t17-/m1/s1