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4-[(E)-octadec-9-enoyl]-2,5-diphenyl-1H-pyrazol-3-one

4-[(E)-octadec-9-enoyl]-2,5-diphenyl-1H-pyrazol-3-one

Systemtic Name:4-[(E)-octadec-9-enoyl]-2,5-diphenyl-1H-pyrazol-3-one
Openeye Name:4-[(E)-octadec-9-enoyl]-2,5-diphenyl-1H-pyrazol-3-one
CAS Name:4-[(E)-1-oxooctadec-9-enyl]-2,5-diphenyl-1H-pyrazol-3-one
IUPAC Name:4-[(E)-octadec-9-enoyl]-2,5-diphenyl-1H-pyrazol-3-one
Traditional Name:4-[(E)-octadec-9-enoyl]-2,5-diphenyl-3-pyrazolin-3-one
Formula: C33H44N2O2
MolecularWeight: 500.71466
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3


Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3


InChI

InChI=1S/C33H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-30(36)31-32(28-23-18-16-19-24-28)34-35(33(31)37)29-25-20-17-21-26-29/h9-10,16-21,23-26,34H,2-8,11-15,22,27H2,1H3/b10-9+


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