5-methyl-4-[[1-[2-oxidanyl-3-[(3-oxidanylpyridin-2-yl)amino]propyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: 5-methyl-4-[[1-[2-oxidanyl-3-[(3-oxidanylpyridin-2-yl)amino]propyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: 4-[[1-[2-hydroxy-3-[(3-hydroxy-2-pyridyl)amino]propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[1-[2-hydroxy-3-[(3-hydroxy-2-pyridinyl)amino]propyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[1-[2-hydroxy-3-[(3-hydroxypyridin-2-yl)amino]propyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[1-[2-hydroxy-3-[(3-hydroxy-2-pyridyl)amino]propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNC4=C(C=CC=N4)O)O)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNC4=C(C=CC=N4)O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O3/c1-18-23(27(35)32(30-18)20-8-3-2-4-9-20)14-19-16-31(24-11-6-5-10-22(19)24)17-21(33)15-29-26-25(34)12-7-13-28-26/h2-14,16,21,33-34H,15,17H2,1H3,(H,28,29)