3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-(1,5-diphenyl-2-pyrazolin-3-yl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C25H22N3O2+ MolecularWeight: 396.46108

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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=C4)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=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C25H21N3O2/c1-27-21-15-9-8-14-19(21)24(29)23(25(27)30)20-16-22(17-10-4-2-5-11-17)28(26-20)18-12-6-3-7-13-18/h2-15,22-23H,16H2,1H3/p+1