N-butyl-N-[2-[[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]octanamide

Systemtic Name: N-butyl-N-[2-[[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]octanamide Openeye Name: N-butyl-N-[2-[[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]octanamide CAS Name: N-butyl-N-[2-[[2-(4-chlorophenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]octanamide IUPAC Name: N-butyl-N-[2-[[2-(4-chlorophenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]octanamide Traditional Name: N-butyl-N-[2-[[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]caprylamide Formula: C29H37ClN4O2 MolecularWeight: 509.08268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CCCC)CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)N(CCCC)CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C29H37ClN4O2/c1-3-5-7-8-12-15-29(36)33(20-6-4-2)22-28(35)31-27-21-26(23-13-10-9-11-14-23)32-34(27)25-18-16-24(30)17-19-25/h9-11,13-14,16-19,21H,3-8,12,15,20,22H2,1-2H3,(H,31,35)