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

Systemtic Name: 1-[(3S)-3-(2,4-dichlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3S)-3-(2,4-dichlorophenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3S)-3-(2,4-dichlorophenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3S)-3-(2,4-dichlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5S)-5-(2,4-dichlorophenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]propan-1-one Formula: C22H18Cl2N2O MolecularWeight: 397.29712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=CC3=CC=CC=C3C=C2)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CCC(=O)N1[C@@H](CC(=N1)C2=CC3=CC=CC=C3C=C2)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H18Cl2N2O/c1-2-22(27)26-21(18-10-9-17(23)12-19(18)24)13-20(25-26)16-8-7-14-5-3-4-6-15(14)11-16/h3-12,21H,2,13H2,1H3/t21-/m0/s1