[2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-oxo-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-[[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]amino]-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-keto-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl] ester Formula: C31H34N4O4 MolecularWeight: 526.62606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C)C6=CC=CC=C6

InChI

InChI=1S/C31H34N4O4/c1-20-8-10-24(11-9-20)26-13-27(35(34-26)25-6-4-3-5-7-25)32-28(37)18-39-29(38)30-14-22-12-23(15-30)17-31(16-22,19-30)33-21(2)36/h3-11,13,22-23H,12,14-19H2,1-2H3,(H,32,37)(H,33,36)