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

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

Click to see the large picture

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=C3Cl

Isomeric SMILES

CCCC1=NN(C(=O)C1=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C3=CC=CC=C3Cl

InChI

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