5-[5-(4-bromophenyl)-3-(2-chloranyl-7-ethoxy-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[5-(4-bromophenyl)-3-(2-chloranyl-7-ethoxy-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[5-(4-bromophenyl)-3-(2-chloro-7-ethoxy-3-quinolyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[5-(4-bromophenyl)-3-(2-chloro-7-ethoxy-3-quinolinyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[5-(4-bromophenyl)-3-(2-chloro-7-ethoxyquinolin-3-yl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[3-(4-bromophenyl)-5-(2-chloro-7-ethoxy-3-quinolyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C25H23BrClN3O4 MolecularWeight: 544.82482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C25H23BrClN3O4/c1-2-34-18-11-8-16-12-19(25(27)28-20(16)13-18)22-14-21(15-6-9-17(26)10-7-15)29-30(22)23(31)4-3-5-24(32)33/h6-13,22H,2-5,14H2,1H3,(H,32,33)