4-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-one

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-one Openeye Name: 4-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-one CAS Name: 4-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-3-pyrazolone IUPAC Name: 4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-one Traditional Name: 4-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-2-pyrazolin-3-one Formula: C30H29F3N2O2 MolecularWeight: 506.55867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C30H29F3N2O2/c1-28(2,3)22-16-19(17-23(26(22)36)29(4,5)6)24-25(18-12-14-20(15-13-18)30(31,32)33)34-35(27(24)37)21-10-8-7-9-11-21/h7-17H,1-6H3