5-(4-hexadecoxyphenyl)-1,2-dimethyl-pyrazol-3-one

Systemtic Name: 5-(4-hexadecoxyphenyl)-1,2-dimethyl-pyrazol-3-one Openeye Name: 5-(4-hexadecoxyphenyl)-1,2-dimethyl-pyrazol-3-one CAS Name: 5-(4-hexadecoxyphenyl)-1,2-dimethyl-3-pyrazolone IUPAC Name: 5-(4-hexadecoxyphenyl)-1,2-dimethylpyrazol-3-one Traditional Name: 5-(4-cetyloxyphenyl)-1,2-dimethyl-3-pyrazolin-3-one Formula: C27H44N2O2 MolecularWeight: 428.65046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC(=O)N(N2C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC(=O)N(N2C)C

InChI

InChI=1S/C27H44N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-25-20-18-24(19-21-25)26-23-27(30)29(3)28(26)2/h18-21,23H,4-17,22H2,1-3H3