[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C24H29N3O4/c1-30-20-13-27(19-5-3-2-4-6-19)26-22(20)23(29)31-14-21(28)25-15-24-10-16-7-17(11-24)9-18(8-16)12-24/h2-6,13,16-18H,7-12,14-15H2,1H3,(H,25,28)