5-hexadecyl-4,4-dimethyl-1-phenyl-pyrazolidin-3-one

Systemtic Name: 5-hexadecyl-4,4-dimethyl-1-phenyl-pyrazolidin-3-one Openeye Name: 5-hexadecyl-4,4-dimethyl-1-phenyl-pyrazolidin-3-one CAS Name: 5-hexadecyl-4,4-dimethyl-1-phenyl-3-pyrazolidinone IUPAC Name: 5-hexadecyl-4,4-dimethyl-1-phenylpyrazolidin-3-one Traditional Name: 5-cetyl-4,4-dimethyl-1-phenyl-pyrazolidin-3-one Formula: C27H46N2O MolecularWeight: 414.66694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1C(C(=O)NN1C2=CC=CC=C2)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1C(C(=O)NN1C2=CC=CC=C2)(C)C

InChI

InChI=1S/C27H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-27(2,3)26(30)28-29(25)24-21-18-17-19-22-24/h17-19,21-22,25H,4-16,20,23H2,1-3H3,(H,28,30)