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

Systemtic Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)-1,3-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)-1,3-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)-1,3-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)-1,3-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5S)-3-(3,4-dimethoxyphenyl)-5-(4-ethylphenyl)-3-pyrazolin-1-yl]propan-1-one Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C=C(NN2C(=O)CC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)CC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26N2O3/c1-5-15-7-9-16(10-8-15)19-14-18(23-24(19)22(25)6-2)17-11-12-20(26-3)21(13-17)27-4/h7-14,19,23H,5-6H2,1-4H3/t19-/m0/s1