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

Systemtic Name: 3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[5-(4-chlorophenyl)-1-phenyl-2-pyrazolin-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C25H21ClN3O2+ MolecularWeight: 430.90614

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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=C(C=C4)Cl)C5=CC=CC=C5)O

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClN3O2/c1-28-21-10-6-5-9-19(21)24(30)23(25(28)31)20-15-22(16-11-13-17(26)14-12-16)29(27-20)18-7-3-2-4-8-18/h2-14,22-23H,15H2,1H3/p+1