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

Systemtic Name: 1-methyl-2-oxidanyl-3-[2-phenyl-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-5-yl]-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-1-methyl-3-[2-phenyl-3-[(E)-styryl]-3,4-dihydropyrazol-5-yl]-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-1-methyl-3-[2-phenyl-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-5-yl]-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-1-methyl-3-[2-phenyl-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-5-yl]-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-1-methyl-3-[1-phenyl-5-[(E)-styryl]-2-pyrazolin-3-yl]-3H-quinolin-1-ium-4-one Formula: C27H24N3O2+ MolecularWeight: 422.49836

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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)C=CC4=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)/C=C/C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C27H23N3O2/c1-29-24-15-9-8-14-22(24)26(31)25(27(29)32)23-18-21(17-16-19-10-4-2-5-11-19)30(28-23)20-12-6-3-7-13-20/h2-17,21,25H,18H2,1H3/p+1/b17-16+