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

Systemtic Name: 5-methyl-4-[[1-[2-oxidanyl-3-(pyridin-3-ylmethylamino)propyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: 4-[[1-[2-hydroxy-3-(3-pyridylmethylamino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[1-[2-hydroxy-3-(3-pyridinylmethylamino)propyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[1-[2-hydroxy-3-(pyridin-3-ylmethylamino)propyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[1-[2-hydroxy-3-(3-pyridylmethylamino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNCC4=CN=CC=C4)O)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNCC4=CN=CC=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2/c1-20-26(28(35)33(31-20)23-9-3-2-4-10-23)14-22-18-32(27-12-6-5-11-25(22)27)19-24(34)17-30-16-21-8-7-13-29-15-21/h2-15,18,24,30,34H,16-17,19H2,1H3