2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-octadecyl-butanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-octadecyl-butanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-octadecyl-butanamide CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-octadecylbutanamide IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-octadecylbutanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-stearyl-butyramide Formula: C27H50ClN3O MolecularWeight: 468.1584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(CC)N1C(=C(C(=N1)C)Cl)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(CC)N1C(=C(C(=N1)C)Cl)C

InChI

InChI=1S/C27H50ClN3O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-27(32)25(6-2)31-24(4)26(28)23(3)30-31/h25H,5-22H2,1-4H3,(H,29,32)