2-[(5R,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]ethanoate

Systemtic Name: 2-[(5R,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]ethanoate Openeye Name: 2-[(5R,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]acetate CAS Name: 2-[(5R,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]acetate IUPAC Name: 2-[(5R,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]acetate Traditional Name: 2-[(5R,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]acetate Formula: C17H23N2O2- MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C23CC4CC(C2)CC(C4)(C3)CC(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)CC(=O)[O-]

InChI

InChI=1S/C17H24N2O2/c1-10-15(11(2)19-18-10)17-6-12-3-13(7-17)5-16(4-12,9-17)8-14(20)21/h12-13H,3-9H2,1-2H3,(H,18,19)(H,20,21)/p-1/t12-,13+,16?,17?