1-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-methyl-propan-1-one Openeye Name: 1-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-methyl-propan-1-one CAS Name: 1-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-methyl-1-propanone IUPAC Name: 1-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-methylpropan-1-one Traditional Name: 1-[(5S)-5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-methyl-propan-1-one Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-14(2)22(25)24-20(18-12-17(27-4)10-11-21(18)28-5)13-19(23-24)15-6-8-16(26-3)9-7-15/h6-12,14,20H,13H2,1-5H3/t20-/m0/s1