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

Systemtic Name: 5-methyl-4-[[1-[2-oxidanyl-3-(3-oxidanylpropylamino)propyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: 4-[[1-[2-hydroxy-3-(3-hydroxypropylamino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[1-[2-hydroxy-3-(3-hydroxypropylamino)propyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[1-[2-hydroxy-3-(3-hydroxypropylamino)propyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[1-[2-hydroxy-3-(3-hydroxypropylamino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3/c1-18-23(25(32)29(27-18)20-8-3-2-4-9-20)14-19-16-28(24-11-6-5-10-22(19)24)17-21(31)15-26-12-7-13-30/h2-6,8-11,14,16,21,26,30-31H,7,12-13,15,17H2,1H3