(4E)-2-(3-bromophenyl)-5-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(3-bromophenyl)-5-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]pyrazol-3-one Openeye Name: (4E)-2-(3-bromophenyl)-5-methyl-4-[(4-morpholinophenyl)methylene]pyrazol-3-one CAS Name: (4E)-2-(3-bromophenyl)-5-methyl-4-[[4-(4-morpholinyl)phenyl]methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(3-bromophenyl)-5-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(3-bromophenyl)-5-methyl-4-(4-morpholinobenzylidene)-2-pyrazolin-3-one Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N3CCOCC3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)N3CCOCC3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H20BrN3O2/c1-15-20(21(26)25(23-15)19-4-2-3-17(22)14-19)13-16-5-7-18(8-6-16)24-9-11-27-12-10-24/h2-8,13-14H,9-12H2,1H3/b20-13+