(4Z)-4-[(2,3-dimethyl-4-pent-1-ynyl-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: (4Z)-4-[(2,3-dimethyl-4-pent-1-ynyl-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4Z)-4-[(2,3-dimethyl-4-pent-1-ynyl-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4Z)-4-[(2,3-dimethyl-4-pent-1-ynylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4Z)-4-[(2,3-dimethyl-4-pent-1-ynylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4Z)-4-(2,3-dimethyl-4-pent-1-ynyl-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C23H22N2O2 MolecularWeight: 358.43298

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C(C(=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCC#CC1=C(C(=C(C=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C23H22N2O2/c1-4-5-7-10-18-13-14-19(17(3)16(18)2)15-21-22(26)24-25(23(21)27)20-11-8-6-9-12-20/h6,8-9,11-15H,4-5H2,1-3H3,(H,24,26)/b21-15-