[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C27H35N3O3/c1-26(2,3)22-12-23(30(29-22)21-7-5-4-6-8-21)28-24(31)17-33-25(32)16-27-13-18-9-19(14-27)11-20(10-18)15-27/h4-8,12,18-20H,9-11,13-17H2,1-3H3,(H,28,31)