(1-phenylpyrazol-4-yl)methyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 3-acetamidoadamantane-1-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H27N3O3/c1-16(27)25-23-10-17-7-18(11-23)9-22(8-17,15-23)21(28)29-14-19-12-24-26(13-19)20-5-3-2-4-6-20/h2-6,12-13,17-18H,7-11,14-15H2,1H3,(H,25,27)