4-[(cycloheptylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 4-[(cycloheptylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[(cycloheptylamino)methylene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[(cycloheptylamino)methylidene]-5-methyl-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[(cycloheptylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[(cycloheptylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2CCCCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CNC2CCCCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3/c1-13-17(12-19-14-6-4-2-3-5-7-14)18(23)21(20-13)15-8-10-16(11-9-15)22(24)25/h8-12,14,19H,2-7H2,1H3