5-[(3R)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3R)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3R)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3R)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3R)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C21H20BrN2O4- MolecularWeight: 444.2985

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=O)CCCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=C(C=C3)Br)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C21H21BrN2O4/c1-28-17-11-7-14(8-12-17)18-13-19(15-5-9-16(22)10-6-15)24(23-18)20(25)3-2-4-21(26)27/h5-12,19H,2-4,13H2,1H3,(H,26,27)/p-1/t19-/m1/s1