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

Systemtic Name: 1-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5S)-5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]propan-1-one Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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