4,4-dioctyl-1-phenyl-pyrazolidin-3-one

Systemtic Name: 4,4-dioctyl-1-phenyl-pyrazolidin-3-one Openeye Name: 4,4-dioctyl-1-phenyl-pyrazolidin-3-one CAS Name: 4,4-dioctyl-1-phenyl-3-pyrazolidinone IUPAC Name: 4,4-dioctyl-1-phenylpyrazolidin-3-one Traditional Name: 4,4-dioctyl-1-phenyl-pyrazolidin-3-one Formula: C25H42N2O MolecularWeight: 386.61378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CN(NC1=O)C2=CC=CC=C2)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1(CN(NC1=O)C2=CC=CC=C2)CCCCCCCC

InChI

InChI=1S/C25H42N2O/c1-3-5-7-9-11-16-20-25(21-17-12-10-8-6-4-2)22-27(26-24(25)28)23-18-14-13-15-19-23/h13-15,18-19H,3-12,16-17,20-22H2,1-2H3,(H,26,28)