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

Systemtic Name: N-[2-[[5-methyl-2-(2-methylphenyl)-4-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)-4-pentyl-benzamide Openeye Name: N-isobutyl-N-[2-[[5-methyl-2-(o-tolyl)-4-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]-4-pentyl-benzamide CAS Name: N-[2-[[5-methyl-2-(2-methylphenyl)-4-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-pentylbenzamide IUPAC Name: N-[2-[[5-methyl-2-(2-methylphenyl)-4-phenylpyrazol-3-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-pentylbenzamide Traditional Name: 4-amyl-N-isobutyl-N-[2-keto-2-[[5-methyl-2-(o-tolyl)-4-phenyl-pyrazol-3-yl]amino]ethyl]benzamide Formula: C35H42N4O2 MolecularWeight: 550.73358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC(C)C)CC(=O)NC2=C(C(=NN2C3=CC=CC=C3C)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC(C)C)CC(=O)NC2=C(C(=NN2C3=CC=CC=C3C)C)C4=CC=CC=C4

InChI

InChI=1S/C35H42N4O2/c1-6-7-9-15-28-19-21-30(22-20-28)35(41)38(23-25(2)3)24-32(40)36-34-33(29-16-10-8-11-17-29)27(5)37-39(34)31-18-13-12-14-26(31)4/h8,10-14,16-22,25H,6-7,9,15,23-24H2,1-5H3,(H,36,40)