(phenylmethyl) 5-(6-methylpyrazin-2-yl)-3-azabicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: (phenylmethyl) 5-(6-methylpyrazin-2-yl)-3-azabicyclo[2.2.2]octane-3-carboxylate Openeye Name: benzyl 5-(6-methylpyrazin-2-yl)-3-azabicyclo[2.2.2]octane-3-carboxylate CAS Name: 5-(6-methyl-2-pyrazinyl)-3-azabicyclo[2.2.2]octane-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(6-methylpyrazin-2-yl)-3-azabicyclo[2.2.2]octane-3-carboxylate Traditional Name: 5-(6-methylpyrazin-2-yl)-3-azabicyclo[2.2.2]octane-3-carboxylic acid benzyl ester Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN=C1)C2CC3CCC2N(C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CN=C1)C2CC3CCC2N(C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H23N3O2/c1-14-10-21-11-18(22-14)17-9-16-7-8-19(17)23(12-16)20(24)25-13-15-5-3-2-4-6-15/h2-6,10-11,16-17,19H,7-9,12-13H2,1H3