4-hexadecyl-1-phenyl-pyrazolidin-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1CN(NC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCC1CN(NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C25H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-23-22-27(26-25(23)28)24-20-17-15-18-21-24/h15,17-18,20-21,23H,2-14,16,19,22H2,1H3,(H,26,28)