1-[3-(3-methoxy-2-oxidanyl-phenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one

Systemtic Name: 1-[3-(3-methoxy-2-oxidanyl-phenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 1-[3-(2-hydroxy-3-methoxy-phenyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 1-[3-(2-hydroxy-3-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 1-[3-(2-hydroxy-3-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 1-[5-(2-hydroxy-3-methoxy-phenyl)-3-(p-tolyl)-2-pyrazolin-1-yl]butan-1-one Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c1-4-6-20(24)23-18(16-7-5-8-19(26-3)21(16)25)13-17(22-23)15-11-9-14(2)10-12-15/h5,7-12,18,25H,4,6,13H2,1-3H3