1-[(3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-2-chloranyl-ethanone

Systemtic Name: 1-[(3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-2-chloranyl-ethanone Openeye Name: 1-[(3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-2-chloro-ethanone CAS Name: 1-[(3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-2-chloroethanone IUPAC Name: 1-[(3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-2-chloroethanone Traditional Name: 1-[(5S)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3-pyrazolin-1-yl]-2-chloro-ethanone Formula: C18H16BrClN2O2 MolecularWeight: 407.68884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(NN2C(=O)CCl)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)CCl)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrClN2O2/c1-24-15-8-4-13(5-9-15)17-10-16(21-22(17)18(23)11-20)12-2-6-14(19)7-3-12/h2-10,17,21H,11H2,1H3/t17-/m0/s1