3-[(2-fluoranylpyridin-4-yl)methyl]-1-(methylamino)-3-phenyl-1-phenylazanyl-indol-1-ium-2-one

Systemtic Name: 3-[(2-fluoranylpyridin-4-yl)methyl]-1-(methylamino)-3-phenyl-1-phenylazanyl-indol-1-ium-2-one Openeye Name: 1-anilino-3-[(2-fluoro-4-pyridyl)methyl]-1-(methylamino)-3-phenyl-indolin-1-ium-2-one CAS Name: 1-anilino-3-[(2-fluoro-4-pyridinyl)methyl]-1-(methylamino)-3-phenyl-2-indol-1-iumone IUPAC Name: 1-anilino-3-[(2-fluoropyridin-4-yl)methyl]-1-(methylamino)-3-phenylindol-1-ium-2-one Traditional Name: 1-anilino-3-[(2-fluoro-4-pyridyl)methyl]-1-(methylamino)-3-phenyl-indolin-1-ium-2-one Formula: C27H24FN4O+ MolecularWeight: 439.504063

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Descriptors Computed from Structure

Canonical SMILES:

CN[N+]1(C2=CC=CC=C2C(C1=O)(CC3=CC(=NC=C3)F)C4=CC=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

CN[N+]1(C2=CC=CC=C2C(C1=O)(CC3=CC(=NC=C3)F)C4=CC=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C27H24FN4O/c1-29-32(31-22-12-6-3-7-13-22)24-15-9-8-14-23(24)27(26(32)33,21-10-4-2-5-11-21)19-20-16-17-30-25(28)18-20/h2-18,29,31H,19H2,1H3/q+1