N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-N-propan-2-yl-octadecanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-N-propan-2-yl-octadecanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-N-isopropyl-octadecanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-N-propan-2-yloctadecanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propan-2-yloctadecanamide Traditional Name: N-isopropyl-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)stearamide Formula: C32H53N3O2 MolecularWeight: 511.78212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C(C)C

InChI

InChI=1S/C32H53N3O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(36)34(27(2)3)31-28(4)33(5)35(32(31)37)29-24-21-20-22-25-29/h20-22,24-25,27H,6-19,23,26H2,1-5H3