[2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-keto-ethyl] ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C26H33N3O4/c1-17-22(18(2)29(28-17)14-19-6-4-3-5-7-19)13-27-23(30)15-33-24(31)25-9-20-8-21(10-25)12-26(32,11-20)16-25/h3-7,20-21,32H,8-16H2,1-2H3,(H,27,30)