[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C30H33N3O3 MolecularWeight: 483.60132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC=CC=C6

InChI

InChI=1S/C30H33N3O3/c1-20-27(21(2)33(32-20)25-11-7-4-8-12-25)31-26(34)18-36-28(35)30-16-22-13-23(17-30)15-29(14-22,19-30)24-9-5-3-6-10-24/h3-12,22-23H,13-19H2,1-2H3,(H,31,34)