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

Systemtic Name: 1-[(3R)-3-(2-hydroxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 1-[(3R)-3-(2-hydroxyphenyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 1-[(3R)-3-(2-hydroxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 1-[(3R)-3-(2-hydroxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 1-[(5R)-5-(2-hydroxyphenyl)-3-(p-tolyl)-2-pyrazolin-1-yl]butan-1-one Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2/c1-3-6-20(24)22-18(16-7-4-5-8-19(16)23)13-17(21-22)15-11-9-14(2)10-12-15/h4-5,7-12,18,23H,3,6,13H2,1-2H3/t18-/m1/s1