4-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2/c1-15-13-17(16(2)24(15)18-9-5-3-6-10-18)14-20-21(26)23-25(22(20)27)19-11-7-4-8-12-19/h4,7-8,11-14,18H,3,5-6,9-10H2,1-2H3,(H,23,26)