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

Systemtic Name: 4-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C23H27N3O MolecularWeight: 361.47998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H27N3O/c1-16-14-19(18(3)25(16)20-10-6-4-7-11-20)15-22-17(2)24-26(23(22)27)21-12-8-5-9-13-21/h5,8-9,12-15,20H,4,6-7,10-11H2,1-3H3