2-[(E)-octadec-9-enoyl]-1H-pyrazol-3-one

Systemtic Name: 2-[(E)-octadec-9-enoyl]-1H-pyrazol-3-one Openeye Name: 2-[(E)-octadec-9-enoyl]-1H-pyrazol-3-one CAS Name: 2-[(E)-1-oxooctadec-9-enyl]-1H-pyrazol-3-one IUPAC Name: 2-[(E)-octadec-9-enoyl]-1H-pyrazol-3-one Traditional Name: 2-[(E)-octadec-9-enoyl]-3-pyrazolin-3-one Formula: C21H36N2O2 MolecularWeight: 348.52274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N1C(=O)C=CN1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)N1C(=O)C=CN1

InChI

InChI=1S/C21H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)23-21(25)18-19-22-23/h9-10,18-19,22H,2-8,11-17H2,1H3/b10-9+