4-[(3-imidazol-1-ylpropylamino)methylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one

Systemtic Name: 4-[(3-imidazol-1-ylpropylamino)methylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: 4-[(3-imidazol-1-ylpropylamino)methylene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: 4-[[3-(1-imidazolyl)propylamino]methylidene]-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: 4-[(3-imidazol-1-ylpropylamino)methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: 4-[(3-imidazol-1-ylpropylamino)methylene]-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCCCN2C=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCCCN2C=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O3/c1-2-4-18-17(13-20-9-3-11-23-12-10-21-14-23)19(26)24(22-18)15-5-7-16(8-6-15)25(27)28/h5-8,10,12-14,20H,2-4,9,11H2,1H3