[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C25H29N3O3/c29-23(26-25-12-16-8-17(13-25)10-18(9-16)14-25)15-31-24(30)22-11-21(19-6-7-19)27-28(22)20-4-2-1-3-5-20/h1-5,11,16-19H,6-10,12-15H2,(H,26,29)