(phenylmethyl) 4-[5-(2,2-dimethylpropanoylamino)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-(2,2-dimethylpropanoylamino)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[5-(2,2-dimethylpropanoylamino)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-(2,2-dimethylpropanoylamino)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(pivaloylamino)-2-pyridyl]piperazine-1-carboxylic acid benzyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-22(2,3)20(27)24-18-9-10-19(23-15-18)25-11-13-26(14-12-25)21(28)29-16-17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,24,27)