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

Systemtic Name: N-butyl-N-[2-[[5-methyl-2-(2-methylphenyl)-4-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]octanamide Openeye Name: N-butyl-N-[2-[[5-methyl-2-(o-tolyl)-4-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]octanamide CAS Name: N-butyl-N-[2-[[5-methyl-2-(2-methylphenyl)-4-phenyl-3-pyrazolyl]amino]-2-oxoethyl]octanamide IUPAC Name: N-butyl-N-[2-[[5-methyl-2-(2-methylphenyl)-4-phenylpyrazol-3-yl]amino]-2-oxoethyl]octanamide Traditional Name: N-butyl-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(CCCC)CC(=O)NC1=C(C(=NN1C2=CC=CC=C2C)C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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