1,9-bis(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)nonane-1,9-dione

Systemtic Name: 1,9-bis(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)nonane-1,9-dione Openeye Name: 1,9-bis(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)nonane-1,9-dione CAS Name: 1,9-bis(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)nonane-1,9-dione IUPAC Name: 1,9-bis(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)nonane-1,9-dione Traditional Name: 1,9-bis(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)nonane-1,9-dione Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=O)CCCCCCCC(=O)C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1C(=O)CCCCCCCC(=O)C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C29H32N4O4/c1-20-26(28(36)32(30-20)22-14-8-6-9-15-22)24(34)18-12-4-3-5-13-19-25(35)27-21(2)31-33(29(27)37)23-16-10-7-11-17-23/h6-11,14-17,26-27H,3-5,12-13,18-19H2,1-2H3