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

Systemtic Name: 4-[[2-(1H-indol-3-yl)ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[[2-(1H-indol-3-yl)ethylamino]methylene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[[2-(1H-indol-3-yl)ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[[2-(1H-indol-3-yl)ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[[2-(1H-indol-3-yl)ethylamino]methylene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCCC2=CNC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CNCCC2=CNC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O3/c1-14-19(13-22-11-10-15-12-23-20-5-3-2-4-18(15)20)21(27)25(24-14)16-6-8-17(9-7-16)26(28)29/h2-9,12-13,22-23H,10-11H2,1H3