4-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one

Systemtic Name: 4-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: 4-[[2-(1H-indol-3-yl)ethylamino]methylene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: 4-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: 4-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: 4-[[2-(1H-indol-3-yl)ethylamino]methylene]-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCCC2=CNC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCCC2=CNC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O3/c1-2-5-22-20(15-24-13-12-16-14-25-21-7-4-3-6-19(16)21)23(29)27(26-22)17-8-10-18(11-9-17)28(30)31/h3-4,6-11,14-15,24-25H,2,5,12-13H2,1H3