N-[2-[[5-methyl-2-(2-methylphenyl)-4-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)octanamide

Systemtic Name: N-[2-[[5-methyl-2-(2-methylphenyl)-4-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)octanamide Openeye Name: N-isobutyl-N-[2-[[5-methyl-2-(o-tolyl)-4-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]octanamide CAS Name: N-[2-[[5-methyl-2-(2-methylphenyl)-4-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide IUPAC Name: N-[2-[[5-methyl-2-(2-methylphenyl)-4-phenylpyrazol-3-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide Traditional Name: N-isobutyl-N-[2-keto-2-[[5-methyl-2-(o-tolyl)-4-phenyl-pyrazol-3-yl]amino]ethyl]caprylamide Formula: C31H42N4O2 MolecularWeight: 502.69078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CC(C)C)CC(=O)NC1=C(C(=NN1C2=CC=CC=C2C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)N(CC(C)C)CC(=O)NC1=C(C(=NN1C2=CC=CC=C2C)C)C3=CC=CC=C3

InChI

InChI=1S/C31H42N4O2/c1-6-7-8-9-13-20-29(37)34(21-23(2)3)22-28(36)32-31-30(26-17-11-10-12-18-26)25(5)33-35(31)27-19-15-14-16-24(27)4/h10-12,14-19,23H,6-9,13,20-22H2,1-5H3,(H,32,36)