1-[(3R)-5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one

Systemtic Name: 1-[(3R)-5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 1-[(3R)-5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 1-[(3R)-5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 1-[(3R)-5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 1-[(5R)-3-(3,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-2-pyrazolin-1-yl]butan-1-one Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(CC(=N1)C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3O

Isomeric SMILES

CCCC(=O)N1[C@H](CC(=N1)C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3O

InChI

InChI=1S/C21H24N2O4/c1-4-7-21(25)23-17(15-8-5-6-9-18(15)24)13-16(22-23)14-10-11-19(26-2)20(12-14)27-3/h5-6,8-12,17,24H,4,7,13H2,1-3H3/t17-/m1/s1