2-(3-chlorophenyl)-4-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-5-propyl-pyrazol-3-one

Systemtic Name: 2-(3-chlorophenyl)-4-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-5-propyl-pyrazol-3-one Openeye Name: 2-(3-chlorophenyl)-4-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-5-propyl-pyrazol-3-one CAS Name: 2-(3-chlorophenyl)-4-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-5-propyl-3-pyrazolone IUPAC Name: 2-(3-chlorophenyl)-4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-5-propylpyrazol-3-one Traditional Name: 2-(3-chlorophenyl)-4-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-5-propyl-2-pyrazolin-3-one Formula: C26H31ClN2O2 MolecularWeight: 438.98954

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCC1=NN(C(=O)C1=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C26H31ClN2O2/c1-8-10-21-22(24(31)29(28-21)18-12-9-11-17(27)15-18)16-13-19(25(2,3)4)23(30)20(14-16)26(5,6)7/h9,11-15H,8,10H2,1-7H3