1-[(3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1,3-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-3-(3,4-dimethoxyphenyl)-5-p-phenetyl-3-pyrazolin-1-yl]ethanone Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C=C(NN2C(=O)C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24N2O4/c1-5-27-17-9-6-15(7-10-17)19-13-18(22-23(19)14(2)24)16-8-11-20(25-3)21(12-16)26-4/h6-13,19,22H,5H2,1-4H3/t19-/m0/s1