tert-butyl 2-(phenylmethyl)-4-(pyridin-4-ylcarbamoyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-(phenylmethyl)-4-(pyridin-4-ylcarbamoyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-benzyl-4-(4-pyridylcarbamoyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(pyridin-4-ylamino)methyl]-2-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzyl-4-(pyridin-4-ylcarbamoyl)piperazine-1-carboxylate Traditional Name: 2-benzyl-4-(4-pyridylcarbamoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CC2=CC=CC=C2)C(=O)NC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1CC2=CC=CC=C2)C(=O)NC3=CC=NC=C3

InChI

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