3-[3-(2-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[3-(2-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-3-[3-(2-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-3-[3-(2-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-3-[3-(2-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-3-[5-(2-hydroxyphenyl)-1-phenyl-2-pyrazolin-3-yl]-1-methyl-3H-quinolin-1-ium-4-one Formula: C25H22N3O3+ MolecularWeight: 412.46048

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NN(C(C3)C4=CC=CC=C4O)C5=CC=CC=C5)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NN(C(C3)C4=CC=CC=C4O)C5=CC=CC=C5)O

InChI

InChI=1S/C25H21N3O3/c1-27-20-13-7-5-12-18(20)24(30)23(25(27)31)19-15-21(17-11-6-8-14-22(17)29)28(26-19)16-9-3-2-4-10-16/h2-14,21,23,29H,15H2,1H3/p+1