(4E)-2-(3-chloranyl-4-methyl-phenyl)-5-methyl-4-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(3-chloranyl-4-methyl-phenyl)-5-methyl-4-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]pyrazol-3-one Openeye Name: (4E)-2-(3-chloro-4-methyl-phenyl)-5-methyl-4-[[3-nitro-4-(1-piperidyl)phenyl]methylene]pyrazol-3-one CAS Name: (4E)-2-(3-chloro-4-methylphenyl)-5-methyl-4-[[3-nitro-4-(1-piperidinyl)phenyl]methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(3-chloro-4-methylphenyl)-5-methyl-4-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(3-chloro-4-methyl-phenyl)-5-methyl-4-(3-nitro-4-piperidino-benzylidene)-2-pyrazolin-3-one Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C(=N2)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])/C(=N2)C)Cl

InChI

InChI=1S/C23H23ClN4O3/c1-15-6-8-18(14-20(15)24)27-23(29)19(16(2)25-27)12-17-7-9-21(22(13-17)28(30)31)26-10-4-3-5-11-26/h6-9,12-14H,3-5,10-11H2,1-2H3/b19-12+