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

Systemtic Name: (4E)-2-(3-chloranyl-4-methyl-phenyl)-5-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]pyrazol-3-one Openeye Name: (4E)-2-(3-chloro-4-methyl-phenyl)-5-methyl-4-[(4-morpholinophenyl)methylene]pyrazol-3-one CAS Name: (4E)-2-(3-chloro-4-methylphenyl)-5-methyl-4-[[4-(4-morpholinyl)phenyl]methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(3-chloro-4-methylphenyl)-5-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(3-chloro-4-methyl-phenyl)-5-methyl-4-(4-morpholinobenzylidene)-2-pyrazolin-3-one Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)N4CCOCC4)C(=N2)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)N4CCOCC4)/C(=N2)C)Cl

InChI

InChI=1S/C22H22ClN3O2/c1-15-3-6-19(14-21(15)23)26-22(27)20(16(2)24-26)13-17-4-7-18(8-5-17)25-9-11-28-12-10-25/h3-8,13-14H,9-12H2,1-2H3/b20-13+