[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H29N3O3/c1-14-22(15(2)27(26-14)20-6-4-3-5-7-20)24(29)30-13-21(28)25-23-18-9-16-8-17(11-18)12-19(23)10-16/h3-7,16-19,23H,8-13H2,1-2H3,(H,25,28)