2-ethyl-1-[(3S)-3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[(3S)-3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 2-ethyl-1-[(3S)-3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 2-ethyl-1-[(3S)-3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 2-ethyl-1-[(3S)-3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 2-ethyl-1-[(5S)-5-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]butan-1-one Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-4-15(5-2)22(26)24-20(18-8-6-7-9-21(18)25)14-19(23-24)16-10-12-17(27-3)13-11-16/h6-13,15,20,25H,4-5,14H2,1-3H3/t20-/m0/s1