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

Systemtic Name: 4-[(3-imidazol-1-ylpropylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[(3-imidazol-1-ylpropylamino)methylene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[[3-(1-imidazolyl)propylamino]methylidene]-5-methyl-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[(3-imidazol-1-ylpropylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[(3-imidazol-1-ylpropylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCCCN2C=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CNCCCN2C=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O3/c1-13-16(11-18-7-2-9-21-10-8-19-12-21)17(24)22(20-13)14-3-5-15(6-4-14)23(25)26/h3-6,8,10-12,18H,2,7,9H2,1H3