4-[(2,5-dimethyl-1-pyridin-4-yl-pyrrol-3-yl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(2,5-dimethyl-1-pyridin-4-yl-pyrrol-3-yl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[2,5-dimethyl-1-(4-pyridyl)pyrrol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(2,5-dimethyl-1-pyridin-4-yl-3-pyrrolyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[2,5-dimethyl-1-(4-pyridyl)pyrrol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NC=C2)C)C=C3C(=NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NC=C2)C)C=C3C(=NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N4O/c1-15-13-18(17(3)25(15)19-9-11-23-12-10-19)14-21-16(2)24-26(22(21)27)20-7-5-4-6-8-20/h4-14H,1-3H3