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

Systemtic Name: N-butyl-N-[2-[[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]octanamide Openeye Name: N-butyl-N-[2-[[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]octanamide CAS Name: N-butyl-N-[2-[[2-(2,4-dimethylphenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]octanamide IUPAC Name: N-butyl-N-[2-[[2-(2,4-dimethylphenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]octanamide Traditional Name: N-butyl-N-[2-[[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]caprylamide Formula: C31H42N4O2 MolecularWeight: 502.69078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N4O2/c1-5-7-9-10-14-17-31(37)34(20-8-6-2)23-30(36)32-29-22-27(26-15-12-11-13-16-26)33-35(29)28-19-18-24(3)21-25(28)4/h11-13,15-16,18-19,21-22H,5-10,14,17,20,23H2,1-4H3,(H,32,36)