1-(3-hexadecoxyphenyl)pyrazolidin-3-one

Systemtic Name: 1-(3-hexadecoxyphenyl)pyrazolidin-3-one Openeye Name: 1-(3-hexadecoxyphenyl)pyrazolidin-3-one CAS Name: 1-(3-hexadecoxyphenyl)-3-pyrazolidinone IUPAC Name: 1-(3-hexadecoxyphenyl)pyrazolidin-3-one Traditional Name: 1-(3-cetyloxyphenyl)pyrazolidin-3-one Formula: C25H42N2O2 MolecularWeight: 402.61318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1)N2CCC(=O)N2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1)N2CCC(=O)N2

InChI

InChI=1S/C25H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-29-24-18-16-17-23(22-24)27-20-19-25(28)26-27/h16-18,22H,2-15,19-21H2,1H3,(H,26,28)