4-hexadecyl-1-(4-methoxyphenyl)pyrazolidin-3-one

Systemtic Name: 4-hexadecyl-1-(4-methoxyphenyl)pyrazolidin-3-one Openeye Name: 4-hexadecyl-1-(4-methoxyphenyl)pyrazolidin-3-one CAS Name: 4-hexadecyl-1-(4-methoxyphenyl)-3-pyrazolidinone IUPAC Name: 4-hexadecyl-1-(4-methoxyphenyl)pyrazolidin-3-one Traditional Name: 4-cetyl-1-(4-methoxyphenyl)pyrazolidin-3-one Formula: C26H44N2O2 MolecularWeight: 416.63976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22-28(27-26(23)29)24-18-20-25(30-2)21-19-24/h18-21,23H,3-17,22H2,1-2H3,(H,27,29)