(4E)-2-(4-bromophenyl)-5-methyl-4-[[(4-piperidin-1-ylcarbonylphenyl)amino]methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[[(4-piperidin-1-ylcarbonylphenyl)amino]methylidene]pyrazol-3-one Openeye Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[[4-(piperidine-1-carbonyl)anilino]methylene]pyrazol-3-one CAS Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[[4-[oxo(1-piperidinyl)methyl]anilino]methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[[4-(piperidine-1-carbonyl)anilino]methylidene]pyrazol-3-one Traditional Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[[4-(piperidine-1-carbonyl)anilino]methylene]-2-pyrazolin-3-one Formula: C23H23BrN4O2 MolecularWeight: 467.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)C(=O)N3CCCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=CC=C(C=C2)C(=O)N3CCCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H23BrN4O2/c1-16-21(23(30)28(26-16)20-11-7-18(24)8-12-20)15-25-19-9-5-17(6-10-19)22(29)27-13-3-2-4-14-27/h5-12,15,25H,2-4,13-14H2,1H3/b21-15+